Molecule FYI-1003631

A

Molecule Summary:

ID: FYI-1003631
Names:
InChIKey: NIXSMLSNRJIPET-UHFFFAOYSA-N
SMILES: Cn1nccc1c2cc(Cl)ccc2Oc4cc(F)c(S(=O)(=O)Nc3cncs3)cc4Cl

Received at FYIcenter.com on: 2023-07-14

Molecule ID: FYI-1003631 Edit

Molecule Structure InChIKey: NIXSMLSNRJIPET-UHFFFAOYSA-N

Molecule Structure SMILES String: Cn1nccc1c2cc(Cl)ccc2Oc4cc(F)c(S(=O)(=O)Nc3cncs3)cc4Cl

Download SDF Download SVG Structure in 2D SDF:

FYI-1003631
FYIcenter.com

 31 34  0  0  0  0  0  0  0  0999 V2000
    7.3140    3.5543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1015    4.2543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1015    5.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3140    6.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5264    5.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5264    4.2543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3142    2.1543    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.7388    6.3543    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.9513    5.6543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7388    7.7543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9513    7.0543    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1637    6.3543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3101    4.9620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6795    4.6709    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.3795    5.8834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4427    6.9237    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.8890    3.5543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6766    4.2544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6767    5.6544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4643    6.3544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2518    5.6544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2518    4.2544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4642    3.5544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0394    6.3545    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4641    2.1544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3315    1.3315    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7640    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1640    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5967    1.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.7642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3141    7.7542    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  1  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 12 16  1  0  0  0  0
 12 13  2  0  0  0  0
  2 17  1  0  0  0  0
 17 18  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 21 24  1  0  0  0  0
 23 25  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 25 29  2  0  0  0  0
 25 26  1  0  0  0  0
 26 30  1  0  0  0  0
  4 31  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003631-3D
FYIcenter.com

 44 47  0  0  0  0  0  0  0  0999 V2000
    1.4347   -5.2889    3.2570 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5282   -5.9408    1.9729 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1748   -7.1285    1.9528 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0990   -7.5230    0.6883 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4347   -6.5841   -0.1088 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0310   -5.5533    0.7386 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1403   -4.4093    0.4105 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7698   -4.6085   -0.6560 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6925   -3.6345   -1.0368 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7208   -3.9048   -2.3881 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.7916   -2.4558   -0.3201 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9219   -2.2336    0.7442 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1075   -3.1523    1.0534 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1000   -2.8234    1.9680 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4064   -1.4876    2.1606 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5835   -0.6259    1.0698 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6799    0.7460    1.2764 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7407    1.5451    0.2049 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.6809    1.2591    2.5641 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5376    3.0005    2.8093 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7780    3.5656    1.7153 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1071    3.1969    4.1771 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1509    3.5283    2.6042 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5764    4.3621    3.6866 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1264    3.9153    4.8661 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4568    4.9086    5.7703 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1421    6.0789    5.2558 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5088    6.0607    3.6573 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6467    0.3971    3.6677 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5144   -0.9796    3.4628 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4413   -2.0031    4.8475 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.5948   -6.0240    4.0511 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4428   -4.8522    3.3776 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2321   -4.5443    3.3056 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5211   -8.4789    0.4056 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2320   -6.6767   -1.1664 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7728   -5.5455   -1.2090 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5236   -1.7001   -0.5912 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0359   -1.3037    1.2970 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5610   -1.0030    0.0510 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1217    4.0694    1.7354 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3188    2.8816    5.1231 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2840    7.0052    5.7976 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6754    0.7967    4.6800 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  6  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 35  1  0  0  0  0
  5  6  2  0  0  0  0
  5 36  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 13  2  0  0  0  0
  8  9  2  0  0  0  0
  8 37  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 38  1  0  0  0  0
 12 13  1  0  0  0  0
 12 39  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 30  2  0  0  0  0
 16 17  2  0  0  0  0
 16 40  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 29  2  0  0  0  0
 20 21  2  0  0  0  0
 20 22  2  0  0  0  0
 20 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 41  1  0  0  0  0
 24 25  2  0  0  0  0
 24 28  1  0  0  0  0
 25 26  1  0  0  0  0
 25 42  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 27 43  1  0  0  0  0
 29 30  1  0  0  0  0
 29 44  1  0  0  0  0
 30 31  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-07-29, 2416👍, 0💬