Molecule FYI-1016439

A

Molecule Summary:

ID: FYI-1016439
Names:
InChIKey: YKPYIPVDTNNYCN-INIZCTEOSA-N
SMILES: CC3(C)SCCN(S(=O)(=O)c2ccc(Oc1ccncc1)cc2)[C@H]3C(=O)NO

Received at FYIcenter.com on: 2026-01-07

Molecule ID: FYI-1016439 Edit

Molecule Structure InChIKey: YKPYIPVDTNNYCN-INIZCTEOSA-N

Molecule Structure SMILES String: CC3(C)SCCN(S(=O)(=O)c2ccc(Oc1ccncc1)cc2)[C@H]3C(=O)NO

Download SDF Download SVG Structure in 2D SDF:

FYI-1016439
FYIcenter.com

 28 30  0  0  1  0  0  0  0  0999 V2000
   10.3995    7.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0995    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.7622    8.2124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3622    8.2124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    9.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   10.5000    0.0000 O   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  2  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
  9  8  2  0  0  0  0
 10  8  2  0  0  0  0
 11  8  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 21 16  1  0  0  0  0
 22 14  1  0  0  0  0
 23 22  2  0  0  0  0
 23 11  1  0  0  0  0
 24  7  1  0  0  0  0
 24  2  1  0  0  0  0
 24 25  1  1  0  0  0
 26 25  2  0  0  0  0
 27 25  1  0  0  0  0
 28 27  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016439-3D
FYIcenter.com

 49 51  0     1  0  0  0  0  0999 V2000
   -3.8739    2.2745    1.5030 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2874   -1.1723   -0.7731 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7148   -1.3476   -2.1438 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2792   -2.2816    0.1552 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2241   -0.8495    1.7944 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4344   -2.9616    0.6125 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1208    1.1771   -0.8512 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1656    0.1261   -0.0774 N   0  0  1  0  0  0  0  0  0  0  0  0
   -4.8348   -1.9474   -0.1465 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1039   -0.7823    1.2773 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2566    1.5361   -0.1418 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6443    0.1249   -0.3023 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.7280    0.5447    1.2853 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0811    1.9985    1.5469 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7290    2.4775   -1.2427 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7915    1.4841   -0.2628 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2552   -0.9323    0.5684 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3311   -0.4689   -0.7964 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3524   -1.0932   -0.0985 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5545    0.6961   -1.5121 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6316   -0.5374   -0.1168 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8338    1.2520   -1.5305 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8723    0.6352   -0.8327 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1160    0.5250   -0.1428 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8684   -0.4429   -0.7729 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3300    0.8573    1.1776 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8498   -1.0670   -0.0197 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3355    0.1750    1.8436 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8098   -0.1527   -1.3526 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.0888    1.0298   -1.2155 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9467   -1.9951   -1.1530 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1904   -2.0073    0.4640 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2454    1.1853   -2.0604 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3869   -1.0732    0.4482 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0153    2.1654   -2.0903 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2124   -3.1541    0.0624 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7085   -0.7103   -1.8109 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7447    1.6177    1.6813 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4776   -1.8376   -0.4548 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5559    0.3882    2.8844 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 14  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  2  0  0  0  0
  2  8  1  0  0  0  0
  2 18  1  0  0  0  0
  5 17  2  0  0  0  0
  6  9  1  0  0  0  0
  6 45  1  0  0  0  0
  7 23  1  0  0  0  0
  7 24  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 17  1  0  0  0  0
  9 40  1  0  0  0  0
 10 27  2  0  0  0  0
 10 28  1  0  0  0  0
 11 12  1  0  0  0  0
 11 15  1  0  0  0  0
 11 16  1  0  0  0  0
 12 17  1  0  0  0  0
 12 29  1  0  0  0  0
 13 14  1  0  0  0  0
 13 30  1  0  0  0  0
 13 31  1  0  0  0  0
 14 32  1  0  0  0  0
 14 33  1  0  0  0  0
 15 34  1  0  0  0  0
 15 35  1  0  0  0  0
 15 36  1  0  0  0  0
 16 37  1  0  0  0  0
 16 38  1  0  0  0  0
 16 39  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 41  1  0  0  0  0
 20 22  2  0  0  0  0
 20 42  1  0  0  0  0
 21 23  2  0  0  0  0
 21 43  1  0  0  0  0
 22 23  1  0  0  0  0
 22 44  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 46  1  0  0  0  0
 26 28  2  0  0  0  0
 26 47  1  0  0  0  0
 27 48  1  0  0  0  0
 28 49  1  0  0  0  0
M  END
$$$$

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2026-02-02, 496👍, 0💬