Molecule Editor

Molecule ID: FYI-1006326 Edit

Molecule Structure InChIKey: RTGWVRXHYKXDOY-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc4ccc(CN(Cc2ccc(c1ccccc1S(=O)(=O)[N+]#N)cc2)C(=O)c3ccccc3Cl)cc4

Download SDF Download SVG Structure in 2D SDF:

FYI-1006326
FYIcenter.com

 36 39  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1244    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.2000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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   12.8243    5.4124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2746    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    8.4000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1704    6.2759    0.0000 N   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  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
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 14 13  2  0  0  0  0
 14  9  1  0  0  0  0
 15 12  1  0  0  0  0
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 20 15  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 23 21  2  0  0  0  0
 24 21  1  0  0  0  0
 25  7  1  0  0  0  0
 26 25  2  0  0  0  0
 27 25  1  0  0  0  0
 28 27  2  0  0  0  0
 29 28  1  0  0  0  0
 30 29  2  0  0  0  0
 31 30  1  0  0  0  0
 32 31  2  0  0  0  0
 32 27  1  0  0  0  0
 33 32  1  0  0  0  0
 34  5  1  0  0  0  0
 35 34  2  0  0  0  0
 35  2  1  0  0  0  0
 24 36  3  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006326-3D
FYIcenter.com

 59 62  0  0  0  0  0  0  0  0999 V2000
   -2.8774   -1.8601   -5.6917 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0247   -1.0691   -4.4235 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9030   -0.6792   -3.6860 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0480   -0.1510   -2.3979 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3169   -0.0080   -1.8176 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4500    0.2250   -0.3197 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7573    1.5859    0.1154 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6599    2.5829    0.0802 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6492    2.6544    1.2311 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4049    2.0217    1.1982 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5909    2.3057    2.1741 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4046    3.2280    3.2346 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5067    3.5553    4.2047 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8263    3.6105    3.6762 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9698    3.7302    4.4744 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8448    3.8300    5.8409 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5648    3.8854    6.4070 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4043    3.7899    5.6044 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1528    3.9961    6.4510 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6341    5.3180    6.1076 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9435    2.8029    6.2220 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1263    4.0502    8.1387 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.3498    4.0967    9.2370 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$