Molecule FYI-1014880

A

Molecule Summary:

ID: FYI-1014880
Names:
InChIKey: JSNWJPNYDVZPOW-UHFFFAOYSA-N
SMILES: Cc4cc(C)n(c3ccc(C(=O)c2cc(C)n(S(=O)(=O)c1ccccc1)c2C)cc3)n4

Received at FYIcenter.com on: 2025-06-04

Molecule ID: FYI-1014880 Edit

Molecule Structure InChIKey: JSNWJPNYDVZPOW-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc4cc(C)n(c3ccc(C(=O)c2cc(C)n(S(=O)(=O)c1ccccc1)c2C)cc3)n4

Download SDF Download SVG Structure in 2D SDF:

FYI-1014880
FYIcenter.com

 31 34  0  0  0  0  0  0  0  0999 V2000
   11.7555    1.4442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1860    2.7231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8860    3.9356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9492    4.9760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2404    6.3454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6703    4.4066    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4579    5.1066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4579    6.5066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2454    7.2066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0330    6.5066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8205    7.2066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8205    8.6066    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6081    6.5066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    7.0760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3924    6.0356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.1820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0924    4.8231    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5229    3.5442    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.2440    4.1136    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3903    2.7213    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3458    2.4116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7764    1.1326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5992    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9916    0.1463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5610    1.4253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7381    2.5579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4617    5.1142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5021    4.1774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0330    5.1066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2454    4.4066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8166    3.0142    0.0000 N   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  2  0  0  0  0
  5  4  1  0  0  0  0
  6  4  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 11  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 15  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 18  2  0  0  0  0
 21 18  1  0  0  0  0
 22 21  2  0  0  0  0
 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
 25 24  1  0  0  0  0
 26 25  2  0  0  0  0
 26 21  1  0  0  0  0
 27 17  1  0  0  0  0
 27 13  2  0  0  0  0
 28 27  1  0  0  0  0
 29 10  1  0  0  0  0
 30 29  2  0  0  0  0
 30  7  1  0  0  0  0
 31  6  1  0  0  0  0
 31  2  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014880-3D
FYIcenter.com

 54 57  0  0  0  0  0  0  0  0999 V2000
    2.9327    1.8200   -2.6058 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3428    1.6297   -2.1910 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2718    2.6153   -1.8103 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4352    1.9306   -1.5161 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7789    2.4836   -1.2191 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1265    0.5817   -1.6367 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9030   -0.5641   -1.2979 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8871   -0.5208   -0.3033 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6195   -1.6682    0.0172 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3726   -2.8710   -0.6522 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1707   -4.0759   -0.2754 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6622   -4.1430    0.8454 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3212   -5.1435   -1.2706 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4741   -4.9979   -2.6741 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4523   -6.2485   -3.2565 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5161   -6.5589   -4.7101 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2947   -7.1672   -2.2288 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1193   -8.8701   -2.4528 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.4002   -9.3592   -1.2878 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5761   -9.0509   -3.7867 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7356   -9.5931   -2.4427 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8978   -8.8594   -2.1992 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1347   -9.5115   -2.2247 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2089  -10.8804   -2.4909 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0462  -11.6092   -2.7357 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8092  -10.9671   -2.7138 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3490   -6.5120   -1.0014 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3249   -7.1733    0.3382 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3539   -2.9240   -1.6129 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6279   -1.7780   -1.9395 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8832    0.4089   -2.1620 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7002    2.8834   -2.7248 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2552    1.4093   -1.8501 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7344    1.3216   -3.5590 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1323    3.6849   -1.7999 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8207    3.5492   -1.4684 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5501    1.9820   -1.8147 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0252    2.3994   -0.1581 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0657    0.3654    0.2932 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3686   -1.6225    0.8058 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5443   -4.0632   -3.2199 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6791   -5.6398   -5.2858 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5739   -6.9827   -5.0679 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3433   -7.2375   -4.9337 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8799   -7.7949   -1.9880 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0490   -8.9524   -2.0361 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1744  -11.3810   -2.5077 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1037  -12.6754   -2.9444 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9041  -11.5403   -2.9108 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7210   -8.1894    0.3281 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3050   -7.1823    0.7360 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9552   -6.6230    1.0449 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0934   -3.8524   -2.1150 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8572   -1.8431   -2.7066 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 32  1  0  0  0  0
  1 33  1  0  0  0  0
  1 34  1  0  0  0  0
  2  3  1  0  0  0  0
  2 31  2  0  0  0  0
  3  4  2  0  0  0  0
  3 35  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5 36  1  0  0  0  0
  5 37  1  0  0  0  0
  5 38  1  0  0  0  0
  6  7  1  0  0  0  0
  6 31  1  0  0  0  0
  7  8  1  0  0  0  0
  7 30  2  0  0  0  0
  8  9  2  0  0  0  0
  8 39  1  0  0  0  0
  9 10  1  0  0  0  0
  9 40  1  0  0  0  0
 10 11  1  0  0  0  0
 10 29  2  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 27  2  0  0  0  0
 14 15  2  0  0  0  0
 14 41  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 42  1  0  0  0  0
 16 43  1  0  0  0  0
 16 44  1  0  0  0  0
 17 18  1  0  0  0  0
 17 27  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  2  0  0  0  0
 18 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 26  2  0  0  0  0
 22 23  2  0  0  0  0
 22 45  1  0  0  0  0
 23 24  1  0  0  0  0
 23 46  1  0  0  0  0
 24 25  2  0  0  0  0
 24 47  1  0  0  0  0
 25 26  1  0  0  0  0
 25 48  1  0  0  0  0
 26 49  1  0  0  0  0
 27 28  1  0  0  0  0
 28 50  1  0  0  0  0
 28 51  1  0  0  0  0
 28 52  1  0  0  0  0
 29 30  1  0  0  0  0
 29 53  1  0  0  0  0
 30 54  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-06-21, 993👍, 0💬