Molecule FYI-1007638

A

Molecule Summary:

ID: FYI-1007638
Names:
InChIKey: SFLFGPZLOUWFPL-UHFFFAOYSA-N
SMILES: CC(=O)N3CCCc2cc(S(=O)(=O)N(Cc1cccc(C)c1)CC(C)C)ccc23

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

Molecule ID: FYI-1007638 Edit

Molecule Structure InChIKey: SFLFGPZLOUWFPL-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(=O)N3CCCc2cc(S(=O)(=O)N(Cc1cccc(C)c1)CC(C)C)ccc23

Download SDF Download SVG Structure in 2D SDF:

FYI-1007638
FYIcenter.com

 29 31  0  0  0  0  0  0  0  0999 V2000
    9.6995    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    4.2000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.9374    2.9876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2125    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3374    2.9876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    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
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  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11  9  1  0  0  0  0
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 13 12  1  0  0  0  0
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 17 16  1  0  0  0  0
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 20 19  2  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 21  2  0  0  0  0
 23 17  1  0  0  0  0
 24  9  2  0  0  0  0
 25  8  2  0  0  0  0
 26  5  2  0  0  0  0
 26 25  1  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
 29  4  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007638-3D
FYIcenter.com

 59 61  0     1  0  0  0  0  0999 V2000
    0.5380    1.2184   -1.7107 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.5678    2.6733   -1.8219 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8133    0.4259   -2.9048 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0815    1.0340    2.2481 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6297    0.7343   -0.4583 N   0  0  1  0  0  0  0  0  0  0  0  0
   -4.8710   -0.4064    0.3978 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8001   -0.8996   -0.8810 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3022   -2.2653   -1.2679 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.7309    1.6073    0.7389 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0241    0.7494   -1.0917 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1772    2.0741    0.9368 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5419   -0.5084   -1.3758 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6839    2.8683   -0.2695 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2838    2.9260    2.2023 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0350   -1.1485    0.3390 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1247   -1.0055   -0.5199 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5725   -1.9699    1.1564 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5587   -1.2616   -1.0292 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2024-03-17, 176👍, 0💬