Molecule FYI-1007637

A

Molecule Summary:

ID: FYI-1007637
Names:
InChIKey: GKZNQWIHRLVAIE-UHFFFAOYSA-N
SMILES: CC(=O)N3CCCc2cc(S(=O)(=O)N(Cc1ccc(F)cc1F)CC(C)C)ccc23

Received at FYIcenter.com on: 2024-03-07

Molecule ID: FYI-1007637 Edit

Molecule Structure InChIKey: GKZNQWIHRLVAIE-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(=O)N3CCCc2cc(S(=O)(=O)N(Cc1ccc(F)cc1F)CC(C)C)ccc23

Download SDF Download SVG Structure in 2D SDF:

FYI-1007637
FYIcenter.com

 30 32  0  0  0  0  0  0  0  0999 V2000
   12.1244    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    5.6000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.1498    4.3876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5498    4.3876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  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  2  0  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
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 13  1  0  0  0  0
 16 11  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  1  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 21  1  0  0  0  0
 24 23  2  0  0  0  0
 24 17  1  0  0  0  0
 25  9  2  0  0  0  0
 26  8  2  0  0  0  0
 27  5  2  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  1  0  0  0  0
 30  4  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007637-3D
FYIcenter.com

 56 58  0     1  0  0  0  0  0999 V2000
    0.3200    1.5033   -1.5610 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7877   -0.0721   -1.8936 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.7440   -2.3033    1.0508 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.3096    2.9603   -1.4763 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5845    0.8859   -2.8566 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1878    0.6285    2.4618 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4561    0.8879   -0.4097 N   0  0  1  0  0  0  0  0  0  0  0  0
   -4.9887   -0.5448    0.4304 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9398   -0.8023   -0.9491 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4165   -2.1180   -1.5047 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4695   -2.7432   -0.6137 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7062   -0.0504   -0.0286 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.5660    1.5954    0.8914 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2128    0.9107   -0.9758 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.5400   -0.5862   -0.2494 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1929    1.1937    0.3803 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9587    1.6643   -0.0815 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1221    2.7510    2.4837 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4590    3.0360    0.0182 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.9295   -1.0432    0.0956 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1976   -0.0775    1.4504 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9936   -0.7557   -0.7593 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.2823   -1.1809   -0.4362 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4426   -2.1811    1.5963 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5068   -1.8936    0.7416 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6179   -2.7358    2.5133 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  2  0  0  0  0
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  1  7  1  0  0  0  0
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  2 26  1  0  0  0  0
  3 30  1  0  0  0  0
  6 23  2  0  0  0  0
  7 14  1  0  0  0  0
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 26 28  1  0  0  0  0
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 27 54  1  0  0  0  0
 28 30  2  0  0  0  0
 28 55  1  0  0  0  0
 29 30  1  0  0  0  0
 29 56  1  0  0  0  0
M  END
$$$$

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2024-03-17, 1196👍, 0💬