Molecule FYI-1000339

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A

Molecule Summary:

ID: FYI-1000339
SMILES: CCCCC1=C(C2=C(O1)C=CC(=C2)NS(=O)(=O)C)C(=O)C3=CC=C(C=C3)OCCCN(CCCC)CCCC

Received at FYIcenter.com on: 2021-04-06

Molecule ID: FYI-1000339 Edit

Molecule Structure SMILES String: CCCCC1=C(C2=C(O1)C=CC(=C2)NS(=O)(=O)C)C(=O)C3=CC=C(C=C3)OCCCN(CCCC)CCCC

Download SDF Download SVG Structure in 2D SDF:

FYI-1000339
FYIcenter.com

 39 41  0  0  0  0  0  0  0  0999 V2000
   20.2858   11.6412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9544   11.2084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6632    9.8391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3318    9.4065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0407    8.0370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    7.4676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9081    6.0753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2774    5.7843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9774    6.9967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.7100    4.4527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7733    3.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4038    3.7034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9712    5.0348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4671    2.6629    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.8997    1.3315    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1244    5.3676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    6.0676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    5.3676    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.9676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    1.8676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    1.1676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    5.3676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    5.3676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
  9  5  1  0  0  0  0
 10  8  1  0  0  0  0
 11 10  2  0  0  0  0
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 13  7  1  0  0  0  0
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 19  6  1  0  0  0  0
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 21 19  1  0  0  0  0
 22 21  2  0  0  0  0
 23 22  1  0  0  0  0
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 35 34  1  0  0  0  0
 36 31  1  0  0  0  0
 37 36  1  0  0  0  0
 38 37  1  0  0  0  0
 39 38  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1000339-3D
FYIcenter.com

 83 85  0  0  0  0  0  0  0  0999 V2000
    1.8122    1.4538   -4.9741 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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 39 83  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-07-26, 1712👍, 0💬