3-(azepan-1-ylcarbonyl)-4-methoxy-N-(2-methylphenyl)benzenesulfonamide

Systemtic Name: 3-(azepan-1-ylcarbonyl)-4-methoxy-N-(2-methylphenyl)benzenesulfonamide Openeye Name: 3-(azepane-1-carbonyl)-4-methoxy-N-(o-tolyl)benzenesulfonamide CAS Name: 3-[1-azepanyl(oxo)methyl]-4-methoxy-N-(2-methylphenyl)benzenesulfonamide IUPAC Name: 3-(azepane-1-carbonyl)-4-methoxy-N-(2-methylphenyl)benzenesulfonamide Traditional Name: 3-(azepane-1-carbonyl)-4-methoxy-N-(o-tolyl)benzenesulfonamide Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NS(=O)(=O)C2=CC(=C(C=C2)OC)C(=O)N3CCCCCC3

Isomeric SMILES

CC1=CC=CC=C1NS(=O)(=O)C2=CC(=C(C=C2)OC)C(=O)N3CCCCCC3

InChI

InChI=1S/C21H26N2O4S/c1-16-9-5-6-10-19(16)22-28(25,26)17-11-12-20(27-2)18(15-17)21(24)23-13-7-3-4-8-14-23/h5-6,9-12,15,22H,3-4,7-8,13-14H2,1-2H3