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
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   12.1637    6.3543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  6  1  0  0  0  0
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  1  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  2  0  0  0  0
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 11 12  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
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 12 16  1  0  0  0  0
 12 13  2  0  0  0  0
  2 17  1  0  0  0  0
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 19 20  1  0  0  0  0
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 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
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    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
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    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
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  1 34  1  0  0  0  0
  2  3  1  0  0  0  0
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  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
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 15 30  2  0  0  0  0
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 16 40  1  0  0  0  0
 17 18  1  0  0  0  0
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 19 29  2  0  0  0  0
 20 21  2  0  0  0  0
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 29 30  1  0  0  0  0
 29 44  1  0  0  0  0
 30 31  1  0  0  0  0
M  END
$$$$

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2023-07-29, 561👍, 0💬