N-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-4-methyl-N-(3-methylphenyl)benzenesulfonamide

Systemtic Name: N-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-4-methyl-N-(3-methylphenyl)benzenesulfonamide Openeye Name: N-[2-(azepan-1-yl)-2-oxo-ethyl]-4-methyl-N-(m-tolyl)benzenesulfonamide CAS Name: N-[2-(1-azepanyl)-2-oxoethyl]-4-methyl-N-(3-methylphenyl)benzenesulfonamide IUPAC Name: N-[2-(azepan-1-yl)-2-oxoethyl]-4-methyl-N-(3-methylphenyl)benzenesulfonamide Traditional Name: N-[2-(azepan-1-yl)-2-keto-ethyl]-4-methyl-N-(m-tolyl)benzenesulfonamide Formula: C22H28N2O3S MolecularWeight: 400.53432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O3S/c1-18-10-12-21(13-11-18)28(26,27)24(20-9-7-8-19(2)16-20)17-22(25)23-14-5-3-4-6-15-23/h7-13,16H,3-6,14-15,17H2,1-2H3