N-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-N-(3-methylphenyl)benzenesulfonamide

Systemtic Name: N-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-N-(3-methylphenyl)benzenesulfonamide Openeye Name: N-[2-(azepan-1-yl)-2-oxo-ethyl]-N-(m-tolyl)benzenesulfonamide CAS Name: N-[2-(1-azepanyl)-2-oxoethyl]-N-(3-methylphenyl)benzenesulfonamide IUPAC Name: N-[2-(azepan-1-yl)-2-oxoethyl]-N-(3-methylphenyl)benzenesulfonamide Traditional Name: N-[2-(azepan-1-yl)-2-keto-ethyl]-N-(m-tolyl)benzenesulfonamide Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N(CC(=O)N2CCCCCC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC=C1)N(CC(=O)N2CCCCCC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H26N2O3S/c1-18-10-9-11-19(16-18)23(27(25,26)20-12-5-4-6-13-20)17-21(24)22-14-7-2-3-8-15-22/h4-6,9-13,16H,2-3,7-8,14-15,17H2,1H3