4-[2-(azepan-1-yl)-2-oxidanylidene-ethoxy]-3-methyl-N-(phenylmethyl)benzenesulfonamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)NCC2=CC=CC=C2)OCC(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)NCC2=CC=CC=C2)OCC(=O)N3CCCCCC3

InChI

InChI=1S/C22H28N2O4S/c1-18-15-20(29(26,27)23-16-19-9-5-4-6-10-19)11-12-21(18)28-17-22(25)24-13-7-2-3-8-14-24/h4-6,9-12,15,23H,2-3,7-8,13-14,16-17H2,1H3