Molecule Editor

Molecule ID: FYI-1002229 Edit

Molecule Structure InChIKey: DCBUTZVIUREWHF-UHFFFAOYSA-N

Molecule Structure SMILES String: COc4cccc5c3/C(=C/1CCN(S(=O)(=O)N(C)C)CC1)CN(c2ccccc2)Cc3cnc45

Download SDF Download SVG Structure in 2D SDF:

FYI-1002229
FYIcenter.com

 34 38  0  0  0  0  0  0  0  0999 V2000
   11.6119   10.3124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    9.1000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.2119   10.3124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    8.4000    0.0000 N   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
    7.2746    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    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
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    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6995    4.2000    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
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6995    0.0000    0.0000 C   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
    2.4249    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0000    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  1  2  0  0  0  0
  3  2  2  0  0  0  0
  4  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  4  1  0  0  0  0
  7  2  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 12  7  1  0  0  0  0
 13 10  2  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
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 21 20  1  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
 25 24  2  0  0  0  0
 25 20  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
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 28 13  1  0  0  0  0
 28 17  1  0  0  0  0
 29 15  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
 33 32  1  0  0  0  0
 34 33  2  0  0  0  0
 34 29  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002229-3D
FYIcenter.com

 64 68  0  0  0  0  0  0  0  0999 V2000
    1.1931   -0.1557    1.2687 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7702    0.9886    0.6160 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8385    1.5728    1.2563 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0801    1.4038    2.6103 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3980    1.4273    3.0309 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4068    1.4256    2.0526 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981    1.6135    0.6767 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0388    1.8945   -0.3266 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9508    1.5352   -1.8414 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9214    0.9068   -2.4945 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7323    0.2150   -1.8615 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2407   -1.0226   -2.6180 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9365   -0.7315   -4.0488 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4714    0.0606   -4.3152 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4229   -0.7129   -3.6777 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6341    1.4720   -4.0319 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2803   -0.1018   -5.9883 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2267   -1.4920   -6.4943 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1267    0.6958   -6.4989 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1554   -0.2023   -4.7179 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7257    1.0341   -4.0209 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9788    2.2765   -2.7318 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0003    3.0690   -2.0444 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0076    3.6677   -2.8204 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0188    3.6145   -4.2315 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0330    4.2056   -4.9982 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0881    4.8560   -4.3739 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1186    4.9175   -2.9853 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0928    4.3330   -2.2262 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6251    3.7049   -0.7806 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2718    3.2473   -0.3483 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6306    1.3790    4.0887 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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M  END
$$$$