Molecule FYI-1002887

A

Molecule Summary:

ID: FYI-1002887
Names:
InChIKey: UYZHGPXBEKLXKD-UHFFFAOYSA-O
SMILES: NS(=O)(=O)c2cc(C(=O)NC1CCCCC1)c([SH+]CCO)cc2Cl

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

Molecule ID: FYI-1002887 Edit

Molecule Structure InChIKey: UYZHGPXBEKLXKD-UHFFFAOYSA-O

Molecule Structure SMILES String: NS(=O)(=O)c2cc(C(=O)NC1CCCCC1)c([SH+]CCO)cc2Cl

Download SDF Download SVG Structure in 2D SDF:

FYI-1002887
FYIcenter.com

 24 25  0  0  0  0  0  0  0  0999 V2000
    8.4871    7.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    3.5001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7871    2.9876    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1871    5.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    7.0000    0.0000 S   0  3  0  0  0  0  0  0  0  0  0  0
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    1.2125    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  7  1  0  0  0  0
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  4 12  1  0  0  0  0
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 23 24  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002887-3D
FYIcenter.com

 46 47  0  0  0  0  0  0  0  0999 V2000
    2.0658    1.0686    1.0974 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9505    0.0066    0.1486 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0066   -0.5214   -0.8105 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1529    0.6871   -0.2651 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3743   -1.2796    1.2802 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9211   -2.5789    1.0119 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2746   -3.6542    1.8469 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7418   -5.0083    1.4828 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3030   -5.7532    2.3488 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7645   -5.2969    0.1255 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2353   -6.5262   -0.4650 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3029   -7.1444   -1.3793 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7933   -8.3832   -2.1076 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5199   -8.0909   -2.8940 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4436   -7.4685   -2.0083 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9566   -6.2322   -1.2662 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0707   -3.4077    2.9833 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6426   -4.7117    4.0908 S   0  3  0  0  0  0  0  0  0  0  0  0
    3.8493   -4.1832    5.6546 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3315   -4.1184    5.5891 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7610   -5.3824    5.2730 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5188   -2.1006    3.2356 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1750   -1.0367    2.3934 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6293   -6.4024   -2.1213 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6003   -9.1810   -1.3804 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5686   -8.7528   -2.7891 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1416   -9.0180   -3.3410 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7501   -7.4102   -3.7231 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0999   -8.2131   -1.2805 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4242   -7.2001   -2.6231 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0263   -5.6094    4.3539 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1527   -1.9021    4.0986 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  1 26  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  2  0  0  0  0
  2  5  1  0  0  0  0
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  5 23  2  0  0  0  0
  6  7  2  0  0  0  0
  6 27  1  0  0  0  0
  7  8  1  0  0  0  0
  7 17  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
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 10 28  1  0  0  0  0
 11 12  1  0  0  0  0
 11 16  1  0  0  0  0
 11 29  1  0  0  0  0
 12 13  1  0  0  0  0
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 13 33  1  0  0  0  0
 14 15  1  0  0  0  0
 14 34  1  0  0  0  0
 14 35  1  0  0  0  0
 15 16  1  0  0  0  0
 15 36  1  0  0  0  0
 15 37  1  0  0  0  0
 16 38  1  0  0  0  0
 16 39  1  0  0  0  0
 17 18  1  0  0  0  0
 17 22  2  0  0  0  0
 18 19  1  0  0  0  0
 18 40  1  0  0  0  0
 19 20  1  0  0  0  0
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 20 21  1  0  0  0  0
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 21 45  1  0  0  0  0
 22 23  1  0  0  0  0
 22 46  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-05-09, 452👍, 0💬