Molecule Editor

Molecule ID: FYI-1003661 Edit

Molecule Structure InChIKey: WDZARASLRPPLKW-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc5ccc(Oc2cc(F)c(S(=O)(=O)Nc1ncns1)cc2F)c(c4ccc3oc(=O)[nH]c3c4)c5

Download SDF Download SVG Structure in 2D SDF:

FYI-1003661
FYIcenter.com

 35 39  0  0  0  0  0  0  0  0999 V2000
    7.2747    6.9281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.6281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    9.0280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    9.7280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    9.0280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.6281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    9.7281    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120   10.4281    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3995    8.5156    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9995   10.9405    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.2708    8.3358    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2749   11.1280    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6374    9.0282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    9.7282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    9.0282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    7.6282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2123    3.4282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247    2.7282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    3.4282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    4.8282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.7281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1718    2.4914    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7412    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1336    1.3587    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0412    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  7 10  2  0  0  0  0
  8 11  1  0  0  0  0
 12 13  1  0  0  0  0
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 11 12  1  0  0  0  0
  4 16  1  0  0  0  0
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  2 18  1  0  0  0  0
 18 19  1  0  0  0  0
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 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
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 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 24 25  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 25 30  1  0  0  0  0
 25 26  2  0  0  0  0
 22 31  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 28 34  1  0  0  0  0
 27 32  1  0  0  0  0
 33 35  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003661-3D
FYIcenter.com

 49 53  0     0  0  0  0  0  0999 V2000
   -4.1479    2.5693    0.4369 S   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2755   -1.4092    1.4027 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9645    1.5898    2.2045 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1480    0.4519   -3.0834 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.7309   -0.3455   -1.2194 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9345    2.0257    0.9596 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7530    3.5867    1.4038 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8704    2.9811   -0.7604 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0846    3.0714   -0.7524 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4801    1.4458   -1.2173 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0520    1.3621    1.2700 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5227    0.0041   -0.6857 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6020   -2.2566   -0.0030 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0604   -1.8854    0.0604 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0609   -0.8733    0.3260 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9297   -1.5912   -0.7015 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6700    0.6859   -0.4159 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7316   -0.2677   -0.7392 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2382   -3.1685    0.5778 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9560    1.0467    0.8832 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3458   -0.5114    1.6590 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2854   -4.1573    0.3331 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0233   -2.5801   -0.9461 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.9014   -1.6643   -1.9773 H   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$