Molecule FYI-1002746

A

Molecule Summary:

ID: FYI-1002746
Names:
InChIKey: HHTFGKSEYCDOAY-UHFFFAOYSA-N
SMILES: NS(=O)(=O)c4c(F)c(F)c(S(=O)(=O)CCc1ccccc1)c(NC3Cc2ccccc2C3)c4F

Received at FYIcenter.com on: 2023-04-19

Molecule ID: FYI-1002746 Edit

Molecule Structure InChIKey: HHTFGKSEYCDOAY-UHFFFAOYSA-N

Molecule Structure SMILES String: NS(=O)(=O)c4c(F)c(F)c(S(=O)(=O)CCc1ccccc1)c(NC3Cc2ccccc2C3)c4F

Download SDF Download SVG Structure in 2D SDF:

FYI-1002746
FYIcenter.com

 34 37  0  0  0  0  0  0  0  0999 V2000
   12.1244    5.2793    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    5.9793    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.6120    7.1917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2120    4.7669    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.6793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    8.0793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    8.7793    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    8.7793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   10.1793    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    8.0793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4871    4.5793    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    5.3622    9.9917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    6.6793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    5.9793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.6793    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  2  0  0  0  0
  7  6  1  0  0  0  0
  8  6  1  0  0  0  0
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 33 32  1  0  0  0  0
 34 33  2  0  0  0  0
 34 29  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002746-3D
FYIcenter.com

 55 58  0     0  0  0  0  0  0999 V2000
    0.1126   -1.4114    1.8640 S   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1983   -0.0423   -1.2109 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2571    1.8985   -0.1021 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8379   -3.3173    0.7494 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1312   -2.7411   -0.5774 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.4835   -0.2918    2.7156 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0603   -2.7361    2.4387 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1047   -1.1731   -1.0715 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6372    1.2895   -0.8195 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9345    1.3621    1.2428 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6341    0.0171   -2.8225 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.3043    2.4777   -0.8489 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4171    3.2904    0.5944 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1654    2.6796   -0.6389 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7072    3.6097    0.9832 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1985    2.3755   -1.5095 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9062    0.6207    0.1092 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3410   -1.5225    0.5843 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5040    2.6832   -1.1207 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  6  2  0  0  0  0
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 24 46  1  0  0  0  0
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 34 55  1  0  0  0  0
M  END
$$$$

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2023-04-25, 2288👍, 0💬