Molecule FYI-1002893

A

Molecule Summary:

ID: FYI-1002893
Names:
InChIKey: YZJMQWTUVKKLNZ-UHFFFAOYSA-N
SMILES: NS(=O)(=O)c3cc(C(=O)NC1CCCCC1)c(S(=O)(=O)Cc2ccccc2)cc3Cl

Received at FYIcenter.com on: 2023-04-25

Molecule ID: FYI-1002893 Edit

Molecule Structure InChIKey: YZJMQWTUVKKLNZ-UHFFFAOYSA-N

Molecule Structure SMILES String: NS(=O)(=O)c3cc(C(=O)NC1CCCCC1)c(S(=O)(=O)Cc2ccccc2)cc3Cl

Download SDF Download SVG Structure in 2D SDF:

FYI-1002893
FYIcenter.com

 30 32  0  0  0  0  0  0  0  0999 V2000
    3.6373    6.0622    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.4622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.1622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.5622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125   10.2622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.5622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.1622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    4.6622    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2373    6.0622    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    6.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7373    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1373    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8373    6.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7373    7.2746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.2373    6.0621    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    9.2373    4.6621    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2373    7.4621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0372    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    3.6373    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.9372    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5372    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8372    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5372    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9372    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
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  3  4  1  0  0  0  0
  1  9  2  0  0  0  0
  1 10  2  0  0  0  0
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 15 17  1  0  0  0  0
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 12 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 25 30  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002893-3D
FYIcenter.com

 53 55  0     0  0  0  0  0  0999 V2000
    3.7111   -3.5021   -0.9286 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.0299   -1.6054    0.7649 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.0882   -0.6361   -0.3412 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3983    1.2104    2.4696 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7903   -1.9089   -0.2965 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0402   -0.0880   -1.9575 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2581   -0.0839    0.7135 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6162    0.1096    0.4613 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8267   -1.1724   -0.7638 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4422   -2.3695   -0.0477 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  8  2  0  0  0  0
  3 10  1  0  0  0  0
  3 23  1  0  0  0  0
  4 17  2  0  0  0  0
  9 11  1  0  0  0  0
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  9 42  1  0  0  0  0
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 21 25  1  0  0  0  0
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 28 51  1  0  0  0  0
 29 30  1  0  0  0  0
 29 52  1  0  0  0  0
 30 53  1  0  0  0  0
M  END
$$$$

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2023-05-09, 1213👍, 0💬