Molecule FYI-1002732

A

Molecule Summary:

ID: FYI-1002732
Names:
InChIKey: ZWVUUUNORGCVNI-QGZVFWFLSA-N
SMILES: NS(=O)(=O)c4c(F)c(F)c(S(=O)(=O)CCc1ccccc1F)c(N[C@@H]3CCc2ccccc23)c4F

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

Molecule ID: FYI-1002732 Edit

Molecule Structure InChIKey: ZWVUUUNORGCVNI-QGZVFWFLSA-N

Molecule Structure SMILES String: NS(=O)(=O)c4c(F)c(F)c(S(=O)(=O)CCc1ccccc1F)c(N[C@@H]3CCc2ccccc23)c4F

Download SDF Download SVG Structure in 2D SDF:

FYI-1002732
FYIcenter.com

 35 38  0  0  1  0  0  0  0  0999 V2000
   12.1244    3.8948    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    4.5948    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2120    3.3824    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    5.2948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.6948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    7.3948    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.3948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    4.5948    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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 35 34  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002732-3D
FYIcenter.com

 55 58  0  0  1  0  0  0  0  0999 V2000
    4.0050   -0.5180   -1.1542 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9504    0.1082   -0.0151 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.2908    1.5072    0.0679 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6217   -0.3217   -0.3969 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8708   -0.0350    2.5329 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0366    1.2929    2.5232 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.1928   -0.7193    3.6923 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0102   -0.2446    9.4722 C   0  0  0  0  0  0  0  0  0  0  0  0
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 34 35  1  0  0  0  0
M  END
$$$$

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2023-04-25, 862👍, 0💬