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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O4S/c1-18-16-20(12-13-21(18)28-2)29(26,27)24(19-10-6-5-7-11-19)17-22(25)23-14-8-3-4-9-15-23/h5-7,10-13,16H,3-4,8-9,14-15,17H2,1-2H3