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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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