Molecule FYI-1004794

A

Molecule Summary:

ID: FYI-1004794
Names:
InChIKey: WDZVWDXOIGQJIO-UHFFFAOYSA-N
SMILES: O=S(=O)(NC3CCC(c1cc(F)ccc1F)(S(=O)(=O)c2ccc(Cl)cc2)CC3)C(F)(F)F

Received at FYIcenter.com on: 2023-09-25

Molecule ID: FYI-1004794 Edit

Molecule Structure InChIKey: WDZVWDXOIGQJIO-UHFFFAOYSA-N

Molecule Structure SMILES String: O=S(=O)(NC3CCC(c1cc(F)ccc1F)(S(=O)(=O)c2ccc(Cl)cc2)CC3)C(F)(F)F

Download SDF Download SVG Structure in 2D SDF:

FYI-1004794
FYIcenter.com

 32 34  0  0  0  0  0  0  0  0999 V2000
    6.0297    1.2059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2356    3.2947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0297    3.9909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8238    3.2947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 23  3  1  0  0  0  0
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 31 30  2  0  0  0  0
 31 26  1  0  0  0  0
 32 29  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004794-3D
FYIcenter.com

 49 51  0     0  0  0  0  0  0999 V2000
   -0.9550    6.3937    0.1351 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.5534    1.2149    0.0121 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0969   -1.6357   -0.7430 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.2885   -1.3191   -2.4067 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.6902   -3.7613    2.2824 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3464    0.3078    0.9601 F   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0402   -1.6360    1.6647 F   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2320   -0.5145    0.2256 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.2593    1.2020   -1.2528 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2754    1.1247    1.2651 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.4384    0.0409    1.2482 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4240    0.0786   -1.2414 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.7327   -0.9227   -1.2713 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2040   -1.3854   -0.0349 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5652    2.6769    0.0470 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6282   -1.9121   -1.2535 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5615   -2.0081    1.1596 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7438   -3.4766   -2.2265 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3818   -4.5879   -0.1015 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1215    4.7916    2.2544 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0889    4.8719   -2.0585 H   0  0  0  0  0  0  0  0  0  0  0  0
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 29 47  1  0  0  0  0
 30 32  2  0  0  0  0
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 31 49  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-10-12, 2011👍, 0💬