Molecule FYI-1002700

A

Molecule Summary:

ID: FYI-1002700
Names:
InChIKey: JCEDEPJJOVFHCV-UHFFFAOYSA-N
SMILES: NS(=O)(=O)c3c(F)c(F)c(S(=O)(=O)CCc1ccccc1)c(NCCc2ccccc2)c3F

Received at FYIcenter.com on: 2023-04-19

Molecule ID: FYI-1002700 Edit

Molecule Structure InChIKey: JCEDEPJJOVFHCV-UHFFFAOYSA-N

Molecule Structure SMILES String: NS(=O)(=O)c3c(F)c(F)c(S(=O)(=O)CCc1ccccc1)c(NCCc2ccccc2)c3F

Download SDF Download SVG Structure in 2D SDF:

FYI-1002700
FYIcenter.com

 33 35  0  0  0  0  0  0  0  0999 V2000
    8.4871    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    6.3000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.9747    7.5124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5747    5.0876    0.0000 O   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
    6.0622    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    9.1000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498   10.5000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    2.1000    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 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    9.1000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.1250   10.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250   11.5249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1250   12.7373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5250   12.7373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5250   15.1622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1250   15.1622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250   13.9498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    9.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7249    7.8876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
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  5  2  1  0  0  0  0
  6  5  2  0  0  0  0
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  8  6  1  0  0  0  0
  9  8  1  0  0  0  0
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 21 11  2  0  0  0  0
 21  5  1  0  0  0  0
 22 21  1  0  0  0  0
 10 23  1  0  0  0  0
 23 24  1  0  0  0  0
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 29 30  1  0  0  0  0
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 26 31  1  0  0  0  0
 26 27  2  0  0  0  0
 23 32  2  0  0  0  0
 23 33  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002700-3D
FYIcenter.com

 54 56  0     0  0  0  0  0  0999 V2000
    0.0943    1.9583   -1.7757 S   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0273   -0.1103    1.2286 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9810    3.5908   -0.4690 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9584   -1.7788   -0.0755 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1937    2.7125    0.8286 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.5371    0.9534   -2.7298 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1962    3.3103   -2.2260 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0245    0.9502    1.2033 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3651   -1.4334    0.7237 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7109   -0.9390   -1.3970 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4283   -0.2669    2.8210 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3348    2.0551   -0.5067 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5777   -0.0114   -0.8427 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6727    2.5659   -1.0282 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2115    2.2734   -0.3790 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7158   -0.4628   -0.1747 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3513   -2.1826   -0.7557 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6019    0.4540    0.3912 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7526    2.6088    0.0246 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3496    1.8220    0.2891 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0871   -2.5824   -1.1133 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5403   -3.8423   -0.4564 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9312    3.7581    0.7944 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5724    1.4989    0.2279 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9299    3.7977    1.7676 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  6  2  0  0  0  0
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  2  8  2  0  0  0  0
  2  9  2  0  0  0  0
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  2 19  1  0  0  0  0
  3 16  1  0  0  0  0
  4 17  1  0  0  0  0
  5 21  1  0  0  0  0
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 23 26  2  0  0  0  0
 23 27  1  0  0  0  0
 24 28  1  0  0  0  0
 24 43  1  0  0  0  0
 25 29  2  0  0  0  0
 25 44  1  0  0  0  0
 26 31  1  0  0  0  0
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 27 32  2  0  0  0  0
 27 46  1  0  0  0  0
 28 30  2  0  0  0  0
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 29 48  1  0  0  0  0
 30 51  1  0  0  0  0
 31 33  2  0  0  0  0
 31 52  1  0  0  0  0
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 32 53  1  0  0  0  0
 33 54  1  0  0  0  0
M  END
$$$$

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2023-04-25, 2041👍, 0💬