Molecule FYI-1002694

A

Molecule Summary:

ID: FYI-1002694
Names:
InChIKey: XHINIECMIYBRFV-UHFFFAOYSA-N
SMILES: NS(=O)(=O)c4c(F)c(F)c(S(=O)(=O)CCc1ccccc1)c(N3Cc2ccccc2C3)c4F

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

Molecule ID: FYI-1002694 Edit

Molecule Structure InChIKey: XHINIECMIYBRFV-UHFFFAOYSA-N

Molecule Structure SMILES String: NS(=O)(=O)c4c(F)c(F)c(S(=O)(=O)CCc1ccccc1)c(N3Cc2ccccc2C3)c4F

Download SDF Download SVG Structure in 2D SDF:

FYI-1002694
FYIcenter.com

 33 36  0  0  0  0  0  0  0  0999 V2000
   10.3778    2.1959    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.8654    4.1083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9530    3.5959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9530    4.9959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1654    5.6959    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.7406    5.6959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7406    7.0959    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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 28 29  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002694-3D
FYIcenter.com

 52 55  0  0  0  0  0  0  0  0999 V2000
    1.6473    0.7424    0.3939 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9890   -0.1853   -0.0239 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4423   -1.2778   -0.8043 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9664    0.7250   -0.5683 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5521   -0.7598    1.5179 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8957    0.1964    2.4495 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8123    1.5036    2.1703 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.3111   -0.1813    3.7126 C   0  0  0  0  0  0  0  0  0  0  0  0
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 32 33  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-04-25, 941👍, 0💬