Molecule FYI-1002339

A

Molecule Summary:

ID: FYI-1002339
Names:
InChIKey: UPWKQRJEZRHLJA-WFICWCKDSA-N
SMILES: C[C@@H]1C(=O)O[C@H]4[C@H]1CC[C@@]5(C)Cc3sc(NS(=O)(=O)Cc2ccccc2)nc3[C@@H](C)C45

Received at FYIcenter.com on: 2023-03-01

Molecule ID: FYI-1002339 Edit

Molecule Structure InChIKey: UPWKQRJEZRHLJA-WFICWCKDSA-N

Molecule Structure SMILES String: C[C@@H]1C(=O)O[C@H]4[C@H]1CC[C@@]5(C)Cc3sc(NS(=O)(=O)Cc2ccccc2)nc3[C@@H](C)C45

Download SDF Download SVG Structure in 2D SDF:

FYI-1002339
FYIcenter.com

 31 35  0  0  1  0  0  0  0  0999 V2000
   14.7545    1.7903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4230    2.2229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9904    3.5544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6904    4.7668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9904    5.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5904    5.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8904    7.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4904    7.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7904    5.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4904    4.7668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8904    4.7668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5904    3.5544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1578    2.2229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2904    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2904    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7904    3.5544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4210    6.2703    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    7.6627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5536    8.2321    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.3627    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    7.6627    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.1498    6.4503    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.3627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.6627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    8.3627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.6627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.2627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    5.5627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.2627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5498    6.4503    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2904    7.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  3  2  1  0  0  0  0
  3  4  1  1  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
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 11  6  1  0  0  0  0
 12 11  1  0  0  0  0
 12  3  1  0  0  0  0
 12 13  1  6  0  0  0
 14 13  1  0  0  0  0
 14  2  1  0  0  0  0
 15 14  2  0  0  0  0
 10 16  1  6  0  0  0
 17  9  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
 19  8  1  0  0  0  0
 20 18  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 23 21  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  2  0  0  0  0
 26 25  1  0  0  0  0
 27 26  2  0  0  0  0
 28 27  1  0  0  0  0
 29 28  2  0  0  0  0
 29 24  1  0  0  0  0
 30 21  2  0  0  0  0
  6 31  1  1  0  0  0
M  END
$$$$

Molecule Structure in 3D: Not available

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2023-04-04, 966👍, 0💬