Molecule Editor

Molecule ID: FYI-1003659 Edit

Molecule Structure InChIKey: RUUDCOKQOWUEFZ-UHFFFAOYSA-N

Molecule Structure SMILES String: CN5CC(n1nccc1c2cc(Cl)ccc2Oc4cc(F)c(S(=O)(=O)Nc3cncs3)cc4F)C5

Download SDF Download SVG Structure in 2D SDF:

FYI-1003659
FYIcenter.com

 35 39  0  0  0  0  0  0  0  0999 V2000
   10.5285    3.5543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3159    4.2543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3159    5.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5285    6.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7408    5.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7408    4.2543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9533    6.3543    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.1657    7.0543    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.6533    5.1418    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2533    7.5667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3781    6.3543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.6570    6.9237    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.5288    2.1543    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.5460    1.3315    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9786    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3786    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8112    1.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2145    1.7641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5789    3.0115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3315    2.3759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9671    1.1285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
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  4 12  1  0  0  0  0
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 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 17 20  1  0  0  0  0
 19 21  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 11 25  1  0  0  0  0
 11 22  2  0  0  0  0
  1 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
 21 30  2  0  0  0  0
 21 27  1  0  0  0  0
 27 31  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 31 34  1  0  0  0  0
 31 32  1  0  0  0  0
 33 35  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003659-3D
FYIcenter.com

 53 57  0  0  0  0  0  0  0  0999 V2000
    9.9673    2.7326   -2.6786 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9894    1.7734   -2.1760 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4538    2.1854   -0.8652 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6850    0.7312   -0.3491 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4435   -0.0024   -0.3768 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8225   -0.2977   -1.5444 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6976   -0.9023   -1.1904 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5930   -1.0234    0.1995 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7514   -0.4619    0.7435 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1527   -0.4705    2.1828 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7311   -1.6074    2.9183 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0110   -1.7657    4.2766 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4856   -3.1772    5.1050 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.6972   -0.7828    4.9650 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0842    0.3683    4.2892 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8683    0.5198    2.8993 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3105    1.6813    2.2854 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5320    2.2254    2.6674 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6281    1.4719    3.1143 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7557    2.1172    3.6284 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7529    1.3642    4.1103 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.8311    3.5058    3.6324 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1476    4.3177    4.4980 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.7461    5.7066    4.6727 O   0  0  0  0  0  0  0  0  0  0  0  0
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   14.2103    4.4300    2.0863 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8560    5.5936    1.4374 C   0  0  0  0  0  0  0  0  0  0  0  0
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 35 53  1  0  0  0  0
M  END
$$$$