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

Systemtic Name: N-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-N-(3-methoxyphenyl)-4-methyl-benzenesulfonamide Openeye Name: N-[2-(azepan-1-yl)-2-oxo-ethyl]-N-(3-methoxyphenyl)-4-methyl-benzenesulfonamide CAS Name: N-[2-(1-azepanyl)-2-oxoethyl]-N-(3-methoxyphenyl)-4-methylbenzenesulfonamide IUPAC Name: N-[2-(azepan-1-yl)-2-oxoethyl]-N-(3-methoxyphenyl)-4-methylbenzenesulfonamide Traditional Name: N-[2-(azepan-1-yl)-2-keto-ethyl]-N-(3-methoxyphenyl)-4-methyl-benzenesulfonamide Formula: C22H28N2O4S MolecularWeight: 416.53372

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O4S/c1-18-10-12-21(13-11-18)29(26,27)24(19-8-7-9-20(16-19)28-2)17-22(25)23-14-5-3-4-6-15-23/h7-13,16H,3-6,14-15,17H2,1-2H3