Molecule Editor

Molecule ID: FYI-1009028 Edit

Molecule Structure InChIKey: ACRRJAOBUXCPFD-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(Nc1ccccc1C(=O)Nc3ccc(S(=O)(=O)Nc2nccs2)cc3)c4ccco4

Download SDF Download SVG Structure in 2D SDF:

FYI-1009028
FYIcenter.com

 32 35  0  0  0  0  0  0  0  0999 V2000
   10.3995    9.8958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.9995    9.8958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    7.9834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    8.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4033    8.1140    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.3401    9.1544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6401   10.3669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2707   10.0758    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.9834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    8.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.9834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.5834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    5.8834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.5834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    6.5834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    5.8834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.4835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    3.7835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.4835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.7835    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.3835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.6835    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    1.6835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9961    0.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3655    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1287    2.2529    0.0000 O   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  5  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
  9  5  2  0  0  0  0
 10  2  1  0  0  0  0
 11 10  2  0  0  0  0
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 18 17  2  0  0  0  0
 19 17  1  0  0  0  0
 20 19  2  0  0  0  0
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 22 21  2  0  0  0  0
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 24 23  2  0  0  0  0
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 27 26  2  0  0  0  0
 28 26  1  0  0  0  0
 29 28  2  0  0  0  0
 30 29  1  0  0  0  0
 31 30  2  0  0  0  0
 32 31  1  0  0  0  0
 32 28  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009028-3D
FYIcenter.com

 48 51  0  0  0  0  0  0  0  0999 V2000
    0.7947   -5.4005    4.7152 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2055   -4.4564    5.3833 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7525   -3.3006    4.8335 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8161   -2.9886    3.4406 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9918   -3.6609    2.5215 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0556   -3.4091    1.1500 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9376   -2.4585    0.6612 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7481   -1.7487    1.5488 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6849   -1.9866    2.9395 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6197   -1.2368    3.8390 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9735   -1.7710    4.8849 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9728    0.0456    3.4278 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9196    0.8904    4.0535 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8682    0.4260    4.9688 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7387    1.3136    5.6074 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6765    2.6767    5.3183 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6559    3.8087    6.2806 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.0179    5.1068    6.1952 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9061    3.1859    7.5620 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0712    3.9348    5.3611 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.2012    3.4815    6.0768 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0149    4.3624    6.6013 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0266    3.6911    7.2642 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0232    2.3184    7.1243 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6706    1.8424    6.1816 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.7611    3.1558    4.3792 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8978    2.2567    3.7339 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1570   -4.5271    6.8312 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7689   -5.5900    7.6291 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8340   -5.1496    8.9671 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.1886    4.9319    5.1754 H   0  0  0  0  0  0  0  0  0  0  0  0
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   12.7213    1.5961    7.5221 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6877    4.2201    4.1643 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.4655   -6.5624    7.2612 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5926   -5.7146    9.8571 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4417   -3.0903    9.6666 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
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  3 33  1  0  0  0  0
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  6  7  1  0  0  0  0
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 31 48  1  0  0  0  0
M  END
$$$$