Molecule Editor

Molecule ID: FYI-1004766 Edit

Molecule Structure InChIKey: ISQAPFMBJFZOLG-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(C)(C)Oc3cc(CCC(C)(C)N2Cc1ccc(S(C)(=O)=O)cc1C2)ccc3O

Download SDF Download SVG Structure in 2D SDF:

FYI-1004766
FYIcenter.com

 30 32  0  0  0  0  0  0  0  0999 V2000
   11.0780    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3780    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1655    0.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6780    2.4248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5904    1.9124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5904    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8028    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8028    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5904    6.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3780    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3780    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1655    6.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0125    3.7290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3819    4.0201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3125    2.5166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2125    1.3041    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.6041    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5125    0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0153    3.3124    0.0000 O   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  2  1  0  0  0  0
  5  2  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 11  6  1  0  0  0  0
 12 10  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
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 16 14  1  0  0  0  0
 17 14  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
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 23 22  2  0  0  0  0
 24 23  1  0  0  0  0
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 26 23  1  0  0  0  0
 27 26  2  0  0  0  0
 28 26  2  0  0  0  0
 29 26  1  0  0  0  0
 30  7  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004766-3D
FYIcenter.com

 63 65  0     1  0  0  0  0  0999 V2000
   -7.6645    0.4161   -0.1974 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.3563   -0.1300   -0.7199 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1634    1.7837   -0.1660 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9391   -0.4282   -1.3509 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3078    2.5463    0.0286 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4590   -0.8350   -0.3577 N   0  0  1  0  0  0  0  0  0  0  0  0
   -0.3752   -1.6970    0.0858 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9156   -0.8637    0.2790 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$