Molecule Editor

Molecule ID: FYI-1002722 Edit

Molecule Structure InChIKey: KRDDZDIQBGSUTK-UHFFFAOYSA-N

Molecule Structure SMILES String: NS(=O)(=O)c2c(F)c(F)c(S(=O)(=O)CCO)c(NC1CCCCCCCCCCC1)c2F

Download SDF Download SVG Structure in 2D SDF:

FYI-1002722
FYIcenter.com

 32 33  0  0  0  0  0  0  0  0999 V2000
    8.4817    1.3991    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2701    2.0987    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.9696    3.3103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5705    0.8870    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0584    2.7982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0584    4.1973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2701    4.8969    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8467    4.8969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8467    6.2960    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.6290    4.4215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4534    2.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4234    2.0987    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.0987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.0243    4.8969    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4234    6.2960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2118    6.9956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2118    8.3947    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  1  0  0  0  0
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 18 17  1  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 22  1  0  0  0  0
 24 23  1  0  0  0  0
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 25  5  1  0  0  0  0
 26 25  1  0  0  0  0
 27 10  1  0  0  0  0
 28 27  2  0  0  0  0
 29 27  2  0  0  0  0
 30 27  1  0  0  0  0
 31 30  1  0  0  0  0
 32 31  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002722-3D
FYIcenter.com

 63 64  0     0  0  0  0  0  0999 V2000
    2.6757    2.1869    0.6756 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4321   -3.7898   -0.8303 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5323   -1.5860   -0.6086 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.6057   -0.0270    0.4464 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.0835   -2.6077   -0.2014 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.4810    2.8072    1.2274 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9121    2.1817    1.4413 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1953   -3.8305   -1.5972 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6442   -4.3803   -1.3800 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.0508    1.0290    0.0413 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$