Molecule FYI-1002689

A

Molecule Summary:

ID: FYI-1002689
Names:
InChIKey: FHPQLXVYKBIQJC-UHFFFAOYSA-N
SMILES: NS(=O)=O.NS(=O)(=O)c2c(F)c(F)c(S(=O)(=O)CCO)c(NCc1ccccc1)c2F

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

Molecule ID: FYI-1002689 Edit

Molecule Structure InChIKey: FHPQLXVYKBIQJC-UHFFFAOYSA-N

Molecule Structure SMILES String: NS(=O)=O.NS(=O)(=O)c2c(F)c(F)c(S(=O)(=O)CCO)c(NCc1ccccc1)c2F

Download SDF Download SVG Structure in 2D SDF:

FYI-1002689
FYIcenter.com

 31 31  0  0  0  0  0  0  0  0999 V2000
   19.5359   12.5160    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.3235   13.2160    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   19.0235   14.4284    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.6235   12.0036    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2746    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
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  5 15  1  0  0  0  0
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 12 17  1  0  0  0  0
 17 18  1  0  0  0  0
 19 20  2  0  0  0  0
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 22 23  1  0  0  0  0
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 18 19  1  0  0  0  0
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 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 11 29  2  0  0  0  0
 11 30  2  0  0  0  0
 11 31  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002689-3D
FYIcenter.com

 49 49  0  0  0  0  0  0  0  0999 V2000
    2.6773   -1.0418   -1.9563 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2929   -1.0593   -1.4955 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.5744    0.2813   -1.0396 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4380   -2.1865   -0.6038 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4306    0.7717    2.2056 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7678    0.4732    1.2296 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2187    0.2224   -0.0889 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6520    1.5817    1.4640 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250   -1.0031    1.8999 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3678   -0.9112    2.9029 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7377    0.2672    3.4186 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.9081   -2.0622    3.4487 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1947   -4.6913    3.9154 S   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6592   -3.4655    1.8787 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  2  4  2  0  0  0  0
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  5  6  1  0  0  0  0
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 30 31  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-04-25, 371👍, 0💬