Molecule Editor

Molecule ID: FYI-1002697 Edit

Molecule Structure InChIKey: JFMMXYPFFNDKOS-AZGAKELHSA-N

Molecule Structure SMILES String: NS(=O)(=O)c4c(F)c(F)c(S(=O)(=O)CCc1ccccc1)c(N[C@@H](c2ccccc2)[C@H](O)c3ccccc3)c4F

Download SDF Download SVG Structure in 2D SDF:

FYI-1002697
FYIcenter.com

 40 43  0  0  1  0  0  0  0  0999 V2000
    9.6893    5.5941    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4781    6.2934    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.1774    7.5045    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7789    5.0822    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2670    6.9926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2670    8.3912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4781    9.0904    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.0558    9.0904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0558   10.4889    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8446    8.3912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8446    6.9926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6335    6.2934    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6335    4.8948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.7971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2111    4.8948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0558    6.2934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9421    5.1487    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.6335    9.0904    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.9342    7.8793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2350    9.0904    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6335   10.4889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4224   11.1882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4224   12.5867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2111   13.2860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2111   14.6845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4224   15.3838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6335   14.6845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6335   13.2860    0.0000 C   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  6  0  0  0
 14 13  1  0  0  0  0
 14 15  1  6  0  0  0
 16 14  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 21 16  1  0  0  0  0
 22 13  1  0  0  0  0
 23 22  2  0  0  0  0
 24 23  1  0  0  0  0
 25 24  2  0  0  0  0
 26 25  1  0  0  0  0
 27 26  2  0  0  0  0
 27 22  1  0  0  0  0
 28 11  2  0  0  0  0
 28  5  1  0  0  0  0
 29 28  1  0  0  0  0
 30 10  1  0  0  0  0
 31 30  2  0  0  0  0
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 37 36  1  0  0  0  0
 38 37  2  0  0  0  0
 39 38  1  0  0  0  0
 40 39  2  0  0  0  0
 40 35  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002697-3D
FYIcenter.com

 65 68  0     1  0  0  0  0  0999 V2000
    1.2324    0.7755    2.0323 S   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3571   -1.9543    2.1739 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.5580   -4.1493    0.7974 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3593    2.2330   -0.3125 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4941    1.9317    1.5545 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1929    0.4114    3.4378 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3108   -3.8709   -2.4050 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4718   -5.2360   -1.2624 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0483    0.6777    0.0060 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8205   -4.9526   -0.1212 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4455    0.8464    0.2535 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.9669    2.0394   -0.5822 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.3755   -0.5463    0.2172 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6854   -0.6357    1.1185 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6658    1.0006    1.7453 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9179    0.9737    1.5449 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8246    1.8396   -2.0764 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7860   -1.6756   -0.4910 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0701    1.2083    0.0397 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3358   -1.8544    1.3115 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.0715    1.2850    4.4907 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  7  2  0  0  0  0
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  1 18  1  0  0  0  0
  2  9  2  0  0  0  0
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M  END
$$$$