Molecule FYI-1004906

A

Molecule Summary:

ID: FYI-1004906
Names:
InChIKey: HZLFFNCLTRVYJG-UHFFFAOYSA-N
SMILES: CC4=C3CC2C(CCC1CC(NS(C)(=O)=O)CCC12C)C3CCC6(C4)OC5CC(C)CNC5C6C

Received at FYIcenter.com on: 2023-09-28

Molecule ID: FYI-1004906 Edit

Molecule Structure InChIKey: HZLFFNCLTRVYJG-UHFFFAOYSA-N

Molecule Structure SMILES String: CC4=C3CC2C(CCC1CC(NS(C)(=O)=O)CCC12C)C3CCC6(C4)OC5CC(C)CNC5C6C

Download SDF Download SVG Structure in 2D SDF:

FYI-1004906
FYIcenter.com

 35 40  0  0  0  0  0  0  0  0999 V2000
   16.7660    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9430    1.1326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5507    0.9863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7278    2.1189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2973    3.3979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2569    4.3347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0445    3.6347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3355    2.2652    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0026    5.0340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8823    5.8738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5274    5.5216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    8.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    7.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    8.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    6.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    5.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5656    4.3890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9580    4.2426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6029    2.9999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9765    2.7294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7631    1.8798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    5.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    8.5583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.8583    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    9.0707    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    6.6459    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4032    5.7270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6896    3.5442    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.5126    2.4116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  8  4  1  0  0  0  0
  9  7  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 20 15  1  0  0  0  0
 21 20  1  0  0  0  0
 21 12  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 23 11  1  0  0  0  0
 24 23  2  0  0  0  0
 25 24  1  0  0  0  0
 25  7  1  0  0  0  0
 26 24  1  0  0  0  0
 27 20  1  0  0  0  0
 28 17  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  2  0  0  0  0
 31 29  2  0  0  0  0
 32 29  1  0  0  0  0
 33  6  1  0  0  0  0
 34  5  1  0  0  0  0
 35 34  1  0  0  0  0
 35  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004906-3D
FYIcenter.com

 83 88  0  0  1  0  0  0  0  0999 V2000
    2.0755    0.9488    0.5759 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8077   -0.3052    0.1217 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1355   -0.4272   -1.1942 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1295    0.7709   -2.1181 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6887    0.2457   -3.4636 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.4950   -1.2632   -3.2821 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.4960   -1.9361   -4.6626 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2940   -1.3590   -5.5029 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3570    0.1825   -5.5007 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.5123    1.0506   -6.4555 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643    2.2280   -6.8011 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.8983    3.3170   -7.6081 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6207    3.1762   -9.2501 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.9284    2.1684   -9.9139 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6082    2.4248   -9.3983 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7693    4.5128   -9.7681 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1030    2.8422   -5.5212 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4365    2.3848   -4.2251 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3876    0.8361   -4.0748 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.1412    0.4883   -3.1979 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3876   -1.6616   -2.0732 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.9191   -3.0509   -1.6238 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9845   -3.4411   -0.1602 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1010   -2.6584    0.8669 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.9250   -1.3984    1.1933 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9283   -3.6410    1.9582 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5488   -4.1273    1.9029 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.2528   -5.6176    2.0333 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4725   -6.4234    0.7488 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.2277   -7.7838    0.8603 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0623   -5.7291   -0.5124 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2058   -4.3118   -0.5858 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0952   -3.5629    0.6315 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.6266   -2.2373    0.5636 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.0283   -1.3158    1.6457 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4211    1.8797    0.1271 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1323    1.0974    1.6567 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0152    0.8414    0.2997 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1638    1.1385   -2.1956 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5142    1.6037   -1.8007 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5271    0.4374   -4.1503 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4791   -1.4634   -2.9241 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4106   -3.0241   -4.5895 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4357   -1.7217   -5.1900 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3457   -1.7317   -5.1035 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3737   -1.7291   -6.5327 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3715    0.2989   -5.9117 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4077    1.4094   -5.9718 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2051    0.5049   -7.3518 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3040    1.8211   -7.3769 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3256    4.2302   -7.4511 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7926    1.1324   -9.5955 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8903    2.5644   -9.6028 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8536    2.2140  -11.0076 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0987    3.9374   -5.5472 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1598    2.5478   -5.4855 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4181    2.7989   -4.2240 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9380    2.8568   -3.3755 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4637   -0.3134   -3.6307 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5305    1.3379   -3.0450 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4190    0.1702   -2.1846 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4491   -1.6900   -2.3579 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5082   -3.7863   -2.1898 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8980   -3.2222   -1.9659 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0385   -3.4022    0.1570 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7627   -4.5120   -0.0933 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9928   -1.6296    1.3223 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6530   -1.0089    2.1832 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0895   -3.7012    2.8013 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8153   -5.6996    2.2919 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8128   -6.0563    2.8632 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5513   -6.5850    0.6457 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3164   -7.6732    0.7613 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0342   -8.2644    1.8215 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1062   -8.4533    0.0613 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1371   -5.8807   -0.6294 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4156   -6.1989   -1.3841 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2532   -3.8905   -1.3848 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1800   -3.4642    0.7374 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5277   -1.7450   -0.4079 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2436   -1.8096    2.5960 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9839   -0.9330    1.2758 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5742   -0.4615    1.9354 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 36  1  0  0  0  0
  1 37  1  0  0  0  0
  1 38  1  0  0  0  0
  2  3  2  0  0  0  0
  2 25  1  0  0  0  0
  3  4  1  0  0  0  0
  3 21  1  0  0  0  0
  4  5  1  0  0  0  0
  4 39  1  0  0  0  0
  4 40  1  0  0  0  0
  5  6  1  0  0  0  0
  5 19  1  0  0  0  0
  5 41  1  0  0  0  0
  6  7  1  0  0  0  0
  6 21  1  0  0  0  0
  6 42  1  0  0  0  0
  7  8  1  0  0  0  0
  7 43  1  0  0  0  0
  7 44  1  0  0  0  0
  8  9  1  0  0  0  0
  8 45  1  0  0  0  0
  8 46  1  0  0  0  0
  9 10  1  0  0  0  0
  9 19  1  0  0  0  0
  9 47  1  0  0  0  0
 10 11  1  0  0  0  0
 10 48  1  0  0  0  0
 10 49  1  0  0  0  0
 11 12  1  0  0  0  0
 11 17  1  0  0  0  0
 11 50  1  0  0  0  0
 12 13  1  0  0  0  0
 12 51  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 13 16  2  0  0  0  0
 14 52  1  0  0  0  0
 14 53  1  0  0  0  0
 14 54  1  0  0  0  0
 17 18  1  0  0  0  0
 17 55  1  0  0  0  0
 17 56  1  0  0  0  0
 18 19  1  0  0  0  0
 18 57  1  0  0  0  0
 18 58  1  0  0  0  0
 19 20  1  0  0  0  0
 20 59  1  0  0  0  0
 20 60  1  0  0  0  0
 20 61  1  0  0  0  0
 21 22  1  0  0  0  0
 21 62  1  0  0  0  0
 22 23  1  0  0  0  0
 22 63  1  0  0  0  0
 22 64  1  0  0  0  0
 23 24  1  0  0  0  0
 23 65  1  0  0  0  0
 23 66  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 24 34  1  0  0  0  0
 25 67  1  0  0  0  0
 25 68  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 33  1  0  0  0  0
 27 69  1  0  0  0  0
 28 29  1  0  0  0  0
 28 70  1  0  0  0  0
 28 71  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
 29 72  1  0  0  0  0
 30 73  1  0  0  0  0
 30 74  1  0  0  0  0
 30 75  1  0  0  0  0
 31 32  1  0  0  0  0
 31 76  1  0  0  0  0
 31 77  1  0  0  0  0
 32 33  1  0  0  0  0
 32 78  1  0  0  0  0
 33 34  1  0  0  0  0
 33 79  1  0  0  0  0
 34 35  1  0  0  0  0
 34 80  1  0  0  0  0
 35 81  1  0  0  0  0
 35 82  1  0  0  0  0
 35 83  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-10-11, 2227👍, 0💬