Molecule FYI-1002817

A

Molecule Summary:

ID: FYI-1002817
Names:
InChIKey: CRGUYEUZRQOMQJ-UHFFFAOYSA-N
SMILES: CCCCNC(=O)c2cc(S(N)(=O)=O)c(NC1CCCCCCC1)cc2Cl

Received at FYIcenter.com on: 2023-04-23

Molecule ID: FYI-1002817 Edit

Molecule Structure InChIKey: CRGUYEUZRQOMQJ-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCNC(=O)c2cc(S(N)(=O)=O)c(NC1CCCCCCC1)cc2Cl

Download SDF Download SVG Structure in 2D SDF:

FYI-1002817
FYIcenter.com

 27 28  0  0  0  0  0  0  0  0999 V2000
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    5.4664   11.3584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2540   12.0584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0416   11.3584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002817-3D
FYIcenter.com

 57 58  0  0  0  0  0  0  0  0999 V2000
    1.4571   -2.7327   -1.2145 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9232   -2.3539   -1.3396 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1306   -0.8385   -1.2526 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6078   -0.4572   -1.3502 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1515   -0.8590   -2.6276 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4677   -1.1883   -2.8371 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3097   -1.2167   -1.9446 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.4894   -4.2687   -5.7218 S   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4264   -3.9034   -6.7604 O   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  3  1  0  0  0  0
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 26 27  1  0  0  0  0
M  END
$$$$

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2023-04-26, 670👍, 0💬