Molecule Editor

Molecule ID: FYI-1014542 Edit

Molecule Structure InChIKey: SCHVOEXADATGCE-GOGLXCQPSA-N

Molecule Structure SMILES String: C[C@]13CC[C@H](C1)c2[nH]c(=O)[nH]c2C(=O)N[C@H]3/S=[O+3](=O)/c4ccc(F)cc4

Download SDF Download SVG Structure in 2D SDF:

FYI-1014542
FYIcenter.com

 26 29  0  0  1  0  0  0  0  0999 V2000
    7.6818    0.5561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5563    1.6077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5786    0.6993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7585    1.3908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4654    2.7267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1043    2.8607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1898    4.5425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3117    5.3245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9147    6.6334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.5473    6.6602    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0993    5.3680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7446    5.1805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0530    6.3604    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9191    4.0901    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1066    2.7353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7377    2.7353    0.0000 O   0  1  0  0  0  0  0  0  0  0  0  0
    4.7377    4.1030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5533    2.0515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3689    2.7353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1844    2.0515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1844    0.6838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.3689    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5533    0.6838    0.0000 C   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  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  6  2  1  0  0  0  0
  5  7  1  6  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11  9  1  0  0  0  0
 12 11  1  0  0  0  0
 12  7  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 13  1  0  0  0  0
 16 15  1  0  0  0  0
  2 16  1  6  0  0  0
 16 17  1  6  0  0  0
 18 17  2  0  0  0  0
 19 18  2  0  0  0  0
 20 18  1  0  0  0  0
 21 20  2  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 23  1  0  0  0  0
 26 25  2  0  0  0  0
 26 20  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014542-3D
FYIcenter.com

 45 48  0  0  1  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  6 35  1  0  0  0  0
  6 36  1  0  0  0  0
  7 12  2  0  0  0  0
  7  8  1  0  0  0  0
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  8 37  1  0  0  0  0
  9 10  2  0  0  0  0
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 13 14  2  0  0  0  0
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 17 18  2  0  0  0  0
 17 41  1  6  0  0  0
 18 19  2  1  0  0  0
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 22 23  1  0  0  0  0
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 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
 25 26  1  0  0  0  0
 25 44  1  0  0  0  0
 26 45  1  0  0  0  0
M  END
$$$$