Molecule FYI-1014544

A

Molecule Summary:

ID: FYI-1014544
Names:
InChIKey: FAANLMHEDLLETJ-UHFFFAOYSA-N
SMILES: CC(C)(C)c2ccc(NS(=O)(=O)c1ccc(NC=O)cc1)cc2

Received at FYIcenter.com on: 2025-04-26

Molecule ID: FYI-1014544 Edit

Molecule Structure InChIKey: FAANLMHEDLLETJ-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(C)(C)c2ccc(NS(=O)(=O)c1ccc(NC=O)cc1)cc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1014544
FYIcenter.com

 23 24  0  0  0  0  0  0  0  0999 V2000
   14.5493    6.1125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369    5.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    6.1125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    5.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    6.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    5.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    3.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    4.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    3.3125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.5747    2.1001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.5125    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 23 20  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014544-3D
FYIcenter.com

 43 44  0  0  0  0  0  0  0  0999 V2000
    3.3107    1.3875   -0.4468 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5582    0.0925   -0.0713 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7147   -0.1011    1.4529 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0632    0.3130   -0.3921 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0661   -1.1500   -0.8257 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0931   -1.0935   -1.7872 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5169   -2.2381   -2.4755 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9140   -3.4610   -2.2140 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3026   -4.6315   -2.9092 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5795   -5.5584   -2.3324 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.7889   -6.6116   -3.3039 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6604   -4.6859   -1.9292 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8884   -6.3245   -0.8868 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7454   -7.1170   -1.0186 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1676   -7.6957    0.1154 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7391   -7.5003    1.3769 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2134   -8.0477    2.5578 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0941   -8.8135    2.7039 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7207   -9.2334    3.7955 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8968   -6.7178    1.4913 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 26  1  0  0  0  0
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  6 33  1  0  0  0  0
  7  8  1  0  0  0  0
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 23 43  1  0  0  0  0
M  END
$$$$

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2025-05-12, 1567👍, 0💬