Molecule FYI-1006040

A

Molecule Summary:

ID: FYI-1006040
Names:
InChIKey: ZDIJTGCDKBHHPD-UHFFFAOYSA-N
SMILES: CC(NC(=O)c3ccc(NS(=O)(=O)c2ccc1[nH]c(=O)[nH]c1c2)cc3)C(=O)N(C)C

Received at FYIcenter.com on: 2023-11-24

Molecule ID: FYI-1006040 Edit

Molecule Structure InChIKey: ZDIJTGCDKBHHPD-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(NC(=O)c3ccc(NS(=O)(=O)c2ccc1[nH]c(=O)[nH]c1c2)cc3)C(=O)N(C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1006040
FYIcenter.com

 30 32  0  0  0  0  0  0  0  0999 V2000
    7.2746    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    8.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5275   12.8368    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9581   14.1158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5657   13.9694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6581   15.3283    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9746    7.1876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6746    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  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  4  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  7  1  0  0  0  0
 10  6  2  0  0  0  0
 11  2  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
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 15 14  1  0  0  0  0
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 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 21  2  0  0  0  0
 24 19  2  0  0  0  0
 24 22  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  2  0  0  0  0
 26 17  1  0  0  0  0
 27 16  2  0  0  0  0
 28 16  2  0  0  0  0
 29 14  1  0  0  0  0
 30 29  2  0  0  0  0
 30 11  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006040-3D
FYIcenter.com

 51 53  0     1  0  0  0  0  0999 V2000
    4.0939    1.7894    0.6606 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.4870    1.9917    0.3086 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6592    1.9972    2.0285 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8265   -4.9280    0.3482 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7191   -1.4132    0.7247 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0835    1.7041   -1.6785 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1048    2.6991   -0.4175 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3911   -2.6998    0.9265 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5962   -3.7433   -0.6930 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0679    1.2004    0.5853 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7785   -1.0378   -0.2649 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6878    0.1263    0.2112 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3672   -1.8164    0.4658 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1051   -2.4553   -0.5263 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6327   -0.5243    0.8587 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4671    0.8634    0.6929 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.4367   -0.5222   -0.7953 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1476   -1.8359   -1.1775 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7048    2.4232   -0.4654 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0307    1.8845   -0.5597 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5124   -3.9251    0.2121 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6057   -0.6251    0.3767 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4874    1.5980   -0.6099 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9860    1.1711    2.0899 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1167    2.0070   -1.6599 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9251    2.5700    0.6818 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2511    1.7377   -1.7070 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4427    2.3007    0.6346 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0526   -2.4360   -0.5772 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8229   -0.1013   -0.6738 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.2077   -2.5339   -1.6555 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.0311    0.6224    0.1164 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7497   -0.6384   -0.8977 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
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  1  7  1  0  0  0  0
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  4 21  2  0  0  0  0
  5 22  2  0  0  0  0
  6 23  2  0  0  0  0
  7 19  1  0  0  0  0
  7 35  1  0  0  0  0
  8 13  1  0  0  0  0
  8 21  1  0  0  0  0
  8 36  1  0  0  0  0
  9 14  1  0  0  0  0
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  9 37  1  0  0  0  0
 10 16  1  0  0  0  0
 10 23  1  0  0  0  0
 10 38  1  0  0  0  0
 11 22  1  0  0  0  0
 11 29  1  0  0  0  0
 11 30  1  0  0  0  0
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 19 26  1  0  0  0  0
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 20 27  2  0  0  0  0
 20 28  1  0  0  0  0
 24 39  1  0  0  0  0
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 29 46  1  0  0  0  0
 29 47  1  0  0  0  0
 29 48  1  0  0  0  0
 30 49  1  0  0  0  0
 30 50  1  0  0  0  0
 30 51  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-12-01, 1505👍, 0💬