N-[3-(azepan-1-yl)propyl]-3-[(2,4-dimethylphenyl)sulfamoyl]-4-methyl-benzamide

Systemtic Name: N-[3-(azepan-1-yl)propyl]-3-[(2,4-dimethylphenyl)sulfamoyl]-4-methyl-benzamide Openeye Name: N-[3-(azepan-1-yl)propyl]-3-[(2,4-dimethylphenyl)sulfamoyl]-4-methyl-benzamide CAS Name: N-[3-(1-azepanyl)propyl]-3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide IUPAC Name: N-[3-(azepan-1-yl)propyl]-3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide Traditional Name: N-[3-(azepan-1-yl)propyl]-3-[(2,4-dimethylphenyl)sulfamoyl]-4-methyl-benzamide Formula: C25H35N3O3S MolecularWeight: 457.6287

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)NCCCN3CCCCCC3)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)NCCCN3CCCCCC3)C)C

InChI

InChI=1S/C25H35N3O3S/c1-19-9-12-23(21(3)17-19)27-32(30,31)24-18-22(11-10-20(24)2)25(29)26-13-8-16-28-14-6-4-5-7-15-28/h9-12,17-18,27H,4-8,13-16H2,1-3H3,(H,26,29)