Molecule Editor

Molecule ID: FYI-1006269 Edit

Molecule Structure InChIKey: URCVCIZFVQDVPM-UHFFFAOYSA-N

Molecule Structure SMILES String: COc3ccc(S(=O)(=O)Nc1cccnc1Nc2ccc(O)cc2)cc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1006269
FYIcenter.com

 43 45  0  0  0  0  0  0  0  0999 V2000
    6.6762    6.7348    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.4935    8.1505    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8588    5.3192    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0135   10.0042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.5858    1.0135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0918    5.9175    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9232    4.2828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5076    1.8308    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2605    7.5522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0918    4.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5076    3.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2605    9.1868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8447    6.7348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6762    3.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3388    3.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8447   10.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    7.5522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    9.1868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6762    1.8308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7544    4.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.0918    1.0135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1702    3.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.0135   11.6388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8447    5.7213    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9232    5.2963    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7985    3.9722    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8447   11.0177    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5515    7.0454    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7985    1.3241    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7544    5.2963    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4612    1.3241    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0918    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.0479    3.9722    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7544    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0270   11.6388    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0135   12.6523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   11.6388    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.4635    1.5202    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  2  0  0  0  0
  1  6  1  0  0  0  0
  1  9  1  0  0  0  0
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 26 40  1  0  0  0  0
 26 41  1  0  0  0  0
 26 42  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006269-3D
FYIcenter.com

 43 45  0     0  0  0  0  0  0999 V2000
    2.9635   -0.6770   -1.4243 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.9022   -1.1877   -2.7811 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1960   -0.7875   -0.6680 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2736   -3.4206    1.6250 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6562    0.5651   -0.1824 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4086    0.9534   -1.4143 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2386    1.6794   -0.7606 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4555    2.5065    1.3498 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6922   -1.5004   -0.5086 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0893    1.5634   -0.1624 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7890    1.9252    0.1706 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6003   -2.0143   -1.1849 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8156   -1.6134    0.8645 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0983    1.8107    0.7619 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6126    1.3967   -0.6145 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4021   -2.6630   -0.4637 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8132   -2.2624    1.5856 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2956   -2.7870    0.9214 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7874    2.4055    1.9798 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5153    1.7934   -1.6009 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0687    0.7211    0.5175 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4628    2.7312    2.2230 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.3788   -3.9336    0.8829 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.4950   -1.9188   -2.2612 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0220    1.9160   -1.7136 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1338    1.5643    0.5459 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.5674    1.8288   -2.2312 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.1333    0.9101   -0.9567 H   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$