Molecule FYI-1014486

A

Molecule Summary:

ID: FYI-1014486
Names:
InChIKey: ARBMNOQMKFEFFJ-UHFFFAOYSA-N
SMILES: O=c2c(Cl)c(Nc1cccc(OS(=O)(=O)F)c1)c(=O)c3ccccc23

Received at FYIcenter.com on: 2025-04-21

Molecule ID: FYI-1014486 Edit

Molecule Structure InChIKey: ARBMNOQMKFEFFJ-UHFFFAOYSA-N

Molecule Structure SMILES String: O=c2c(Cl)c(Nc1cccc(OS(=O)(=O)F)c1)c(=O)c3ccccc23

Download SDF Download SVG Structure in 2D SDF:

FYI-1014486
FYIcenter.com

 25 27  0  0  0  0  0  0  0  0999 V2000
    0.0000    7.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.7000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    8.9124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    6.4876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    1.4000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  2  2  0  0  0  0
  5  2  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  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
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 13  1  0  0  0  0
 16 15  2  0  0  0  0
 17 15  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 22 17  1  0  0  0  0
 23 22  1  0  0  0  0
 23 12  1  0  0  0  0
 24 23  2  0  0  0  0
 25 10  2  0  0  0  0
 25  6  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014486-3D
FYIcenter.com

 34 36  0  0  0  0  0  0  0  0999 V2000
   -1.1458    2.0821    0.1115 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6929    0.9467   -0.0057 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5679   -0.2444   -0.1521 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2714    0.0872   -0.1280 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.0949   -1.5062   -0.2591 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8990   -2.6454   -0.3991 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7191   -2.8822   -1.5322 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4452   -2.3326   -2.7923 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3423   -2.4869   -3.8520 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5172   -3.2144   -3.6761 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7690   -3.8333   -2.4534 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8958   -4.5691   -2.1877 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6469   -5.4251   -3.3577 S   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2547   -6.5949   -2.7550 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4131   -4.5272   -4.1973 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4982   -5.9980   -4.2931 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8740   -3.6635   -1.3868 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4001   -1.7315   -0.1576 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8540   -2.8683   -0.1915 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2851   -0.5527   -0.0672 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6781   -0.7211   -0.0375 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5285    0.3886    0.0126 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9967    1.6750    0.0444 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6149    1.8512    0.0349 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7603    0.7355   -0.0109 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4483   -3.4985   -0.0614 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5381   -1.7612   -2.9688 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1363   -2.0194   -4.8129 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2176   -3.2597   -4.5060 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1103   -4.0972   -0.4172 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1126   -1.7212   -0.0631 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6065    0.2495    0.0309 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6553    2.5408    0.0722 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2044    2.8612    0.0664 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  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5 18  1  0  0  0  0
  6  7  1  0  0  0  0
  6 26  1  0  0  0  0
  7  8  1  0  0  0  0
  7 17  2  0  0  0  0
  8  9  2  0  0  0  0
  8 27  1  0  0  0  0
  9 10  1  0  0  0  0
  9 28  1  0  0  0  0
 10 11  2  0  0  0  0
 10 29  1  0  0  0  0
 11 12  1  0  0  0  0
 11 17  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
 17 30  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 25  2  0  0  0  0
 21 22  2  0  0  0  0
 21 31  1  0  0  0  0
 22 23  1  0  0  0  0
 22 32  1  0  0  0  0
 23 24  2  0  0  0  0
 23 33  1  0  0  0  0
 24 25  1  0  0  0  0
 24 34  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-04-26, 1272👍, 0💬