Molecule FYI-1003019

A

Molecule Summary:

ID: FYI-1003019
Names:
InChIKey: ILODXULWJJWAIO-UHFFFAOYSA-N
SMILES: NS(=O)(=O)c2c(F)c(F)c(SCc1ccc(C(=O)O)cc1)c(F)c2NCC3CCCCCCC3

Received at FYIcenter.com on: 2023-05-06

Molecule ID: FYI-1003019 Edit

Molecule Structure InChIKey: ILODXULWJJWAIO-UHFFFAOYSA-N

Molecule Structure SMILES String: NS(=O)(=O)c2c(F)c(F)c(SCc1ccc(C(=O)O)cc1)c(F)c2NCC3CCCCCCC3

Download SDF Download SVG Structure in 2D SDF:

FYI-1003019
FYIcenter.com

 34 36  0  0  0  0  0  0  0  0999 V2000
    9.4132    8.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.2006    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9882    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9882    9.8000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.7758    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5634    8.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.2634    9.6124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.8380    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
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  6  5  1  0  0  0  0
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 23  2  1  0  0  0  0
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 33 29  1  0  0  0  0
 34 33  2  0  0  0  0
 34 26  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003019-3D
FYIcenter.com

 61 63  0  0  0  0  0  0  0  0999 V2000
    1.1986   -0.0929   -0.1504 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.1242    0.0062 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.2367    1.1476    0.5917 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1945   -1.3603    0.6696 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4064   -0.1544   -1.6673 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4720   -1.4188   -2.2416 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0800   -2.5164   -1.5673 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.9002   -1.6083   -3.5394 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9312   -2.8659   -3.9816 F   0  0  0  0  0  0  0  0  0  0  0  0
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    6.5847   -3.1611   -7.9704 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0657   -3.7647  -10.2579 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1681    0.7510   -3.7616 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

✍: FYIcenter.com

2023-05-31, 1144👍, 0💬