Molecule FYI-1002721

A

Molecule Summary:

ID: FYI-1002721
Names:
InChIKey: ZOZJONWJZVJBCD-ICSRJNTNSA-N
SMILES: NS(=O)(=O)c3c(F)c(F)c(S(=O)(=O)CCO)c(N[C@@H](c1ccccc1)[C@@H](O)c2ccccc2)c3F

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

Molecule ID: FYI-1002721 Edit

Molecule Structure InChIKey: ZOZJONWJZVJBCD-ICSRJNTNSA-N

Molecule Structure SMILES String: NS(=O)(=O)c3c(F)c(F)c(S(=O)(=O)CCO)c(N[C@@H](c1ccccc1)[C@@H](O)c2ccccc2)c3F

Download SDF Download SVG Structure in 2D SDF:

FYI-1002721
FYIcenter.com

 35 37  0  0  1  0  0  0  0  0999 V2000
    9.7814    5.6473    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    9.2646    7.5759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8528    5.1305    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3360    7.0591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3360    8.4710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5587    9.1768    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.1133    9.1768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8907   12.7063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002721-3D
FYIcenter.com

 56 58  0     1  0  0  0  0  0999 V2000
    2.6441    0.9102   -0.9075 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4663   -4.3115    0.7038 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6344   -1.6208    0.3027 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.7760   -1.7793   -0.5013 F   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7185    1.0863    0.0567 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2023-04-25, 586👍, 0💬