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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H35N3O3S/c1-19-10-8-11-23(21(19)3)27-32(30,31)24-18-22(13-12-20(24)2)25(29)26-14-9-17-28-15-6-4-5-7-16-28/h8,10-13,18,27H,4-7,9,14-17H2,1-3H3,(H,26,29)