Molecule Editor

Molecule ID: FYI-1014881 Edit

Molecule Structure InChIKey: XVSAJXULHWWAOX-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc4cc(C)n(c3ccc(C(=O)c2cc(C)n(S(=O)c1ccccc1)c2C)cc3)n4

Download SDF Download SVG Structure in 2D SDF:

FYI-1014881
FYIcenter.com

 30 33  0  0  0  0  0  0  0  0999 V2000
   11.7554    1.4442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1860    2.7233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8860    3.9357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9493    4.9760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2404    6.3455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6703    4.4067    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4579    5.1067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4579    6.5067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2454    7.2067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0330    6.5067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8205    7.2067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8205    8.6067    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6081    6.5067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.1306    3.3980    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3458    2.4116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7763    1.1327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5993    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9916    0.1464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5611    1.4253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7382    2.5580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4618    5.1144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5021    4.1775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0330    5.1067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2454    4.4067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8167    3.0144    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  4  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  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
 13 11  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
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 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 18  1  0  0  0  0
 21 20  2  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 24 23  1  0  0  0  0
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 26 13  2  0  0  0  0
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 28 10  1  0  0  0  0
 29 28  2  0  0  0  0
 29  7  1  0  0  0  0
 30  6  1  0  0  0  0
 30  2  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014881-3D
FYIcenter.com

 53 56  0  0  0  0  0  0  0  0999 V2000
    3.1704    2.1938   -2.6342 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5643    1.9469   -2.1936 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5323    2.8904   -1.8138 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6585    2.1588   -1.4939 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0217    2.6568   -1.1865 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2926    0.8237   -1.6073 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0075   -0.3571   -1.2565 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9972   -0.3578   -0.2662 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6660   -1.5416    0.0654 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.3354   -6.1520   -3.1833 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4375   -6.4860   -4.6324 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1843   -7.0765   -2.1603 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1548   -8.6920   -2.4642 S   0  0  3  0  0  0  0  0  0  0  0  0
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    5.0521   -8.2468   -3.0221 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$