Molecule FYI-1013752

A

Molecule Summary:

ID: FYI-1013752
Names:
InChIKey: WYFALNVHCMTTNP-OAHLLOKOSA-N
SMILES: O=C4CS[C@H](c3cccc([N-]S(=O)(=O)c1cccc2nsnc12)c3)N4

Received at FYIcenter.com on: 2025-01-23

Molecule ID: FYI-1013752 Edit

Molecule Structure InChIKey: WYFALNVHCMTTNP-OAHLLOKOSA-N

Molecule Structure SMILES String: O=C4CS[C@H](c3cccc([N-]S(=O)(=O)c1cccc2nsnc12)c3)N4

Download SDF Download SVG Structure in 2D SDF:

FYI-1013752
FYIcenter.com

 25 28  0  0  1  0  0  0  0  0999 V2000
    9.5275    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5275    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3151    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1026    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1026    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3151    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8902    2.1000    0.0000 N   0  5  0  0  0  0  0  0  0  0  0  0
    4.6777    2.8000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.3777    4.0124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9777    4.0124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4653    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4653    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2529    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0404    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0404    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2529    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9618    4.1694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5694    4.3157    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.0368    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3151    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4477    7.1229    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0151    8.4544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8379    9.5870    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6151    8.4544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1824    7.1229    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  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  5  2  0  0  0  0
  6  1  1  0  0  0  0
  7  5  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
 16 11  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 19 15  2  0  0  0  0
 20  3  1  1  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 24 22  1  0  0  0  0
 25 24  1  0  0  0  0
 25 20  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013752-3D
FYIcenter.com

 36 39  0  0  1  0  0  0  0  0999 V2000
   -2.5911   -1.3127    0.7583 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4994   -0.9644    0.3281 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1874    0.4109   -0.2158 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6166    0.4866   -0.3590 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7873   -1.3141   -0.3212 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.0618   -1.9057   -1.6832 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3836   -1.9727   -2.1493 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6683   -2.5298   -3.3934 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6393   -3.0329   -4.1919 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3031   -2.9694   -3.7738 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7016   -3.5273   -4.4913 N   0  5  0  0  0  0  0  0  0  0  0  0
   -1.4944   -2.6878   -5.6035 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7758   -3.2625   -6.0122 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5515   -1.2408   -5.3824 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5509   -2.8272   -7.1268 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0977   -1.6659   -7.7906 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6942   -1.7045   -8.9606 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0971   -2.9041   -9.5685 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6455   -4.1025   -8.9616 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9146   -5.3412   -9.4070 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1514   -6.3802   -8.3604 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5221   -5.3160   -7.2935 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2061   -4.0754   -7.7050 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0386   -2.3924   -2.5189 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4117   -1.7977    0.3000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5433    1.1793    0.4737 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6505    0.5289   -1.1986 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6067   -1.5808    0.3576 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2010   -1.5936   -1.5400 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6954   -2.5845   -3.7448 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8859   -3.4850   -5.1496 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3672   -0.6925   -7.3793 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0074   -0.7590   -9.4015 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7168   -2.9213  -10.4557 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0019   -2.3371   -2.1989 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5482   -2.7793    0.4953 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 25  1  0  0  0  0
  3  4  1  0  0  0  0
  3 26  1  0  0  0  0
  3 27  1  0  0  0  0
  4  5  1  0  0  0  0
  5 25  1  0  0  0  0
  5  6  1  0  0  0  0
  5 28  1  1  0  0  0
  6  7  1  0  0  0  0
  6 24  2  0  0  0  0
  7  8  2  0  0  0  0
  7 29  1  0  0  0  0
  8  9  1  0  0  0  0
  8 30  1  0  0  0  0
  9 10  2  0  0  0  0
  9 31  1  0  0  0  0
 10 11  1  0  0  0  0
 10 24  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 23  1  0  0  0  0
 16 17  1  0  0  0  0
 16 32  1  0  0  0  0
 17 18  2  0  0  0  0
 17 33  1  0  0  0  0
 18 19  1  0  0  0  0
 18 34  1  0  0  0  0
 19 20  2  0  0  0  0
 19 23  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 24 35  1  0  0  0  0
 25 36  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-02-16, 838👍, 0💬