Molecule Editor

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
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    0.7000    0.0000 C   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
    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
    5.2250   13.9497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
  4  2  2  0  0  0  0
  5  2  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  6  1  0  0  0  0
  9  8  1  0  0  0  0
 10  8  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 20 15  1  0  0  0  0
 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
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 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
   -1.3254    1.3567   -0.9449 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    2.1634   -3.7938    0.7906 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3413   -5.0692   -1.0893 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9299    3.7977    1.7676 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5709    1.5383    1.2011 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7497    2.6877    1.9709 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5875   -4.9725    1.4048 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7651   -6.2476   -0.4753 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3883   -6.1993    0.7717 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.0456   -2.9716   -1.0678 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.1803   -2.6821   -2.2034 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7712   -1.7643   -0.8482 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3226   -2.8443    1.2949 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8552   -5.1204   -2.0600 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2088    0.6737    1.3600 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.3005   -1.2166    3.1911 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5271    2.7182    2.7288 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0722   -4.9349    2.3759 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6096   -7.2031   -0.9679 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7182   -7.1169    1.2498 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  2  0  0  0  0
  1  7  2  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  2  8  2  0  0  0  0
  2  9  2  0  0  0  0
  2 11  1  0  0  0  0
  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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 19 21  2  0  0  0  0
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 22 23  1  0  0  0  0
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 23 26  2  0  0  0  0
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 31 33  2  0  0  0  0
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 32 53  1  0  0  0  0
 33 54  1  0  0  0  0
M  END
$$$$