4-[2-(azepan-1-yl)-2-oxidanylidene-ethoxy]-N-[(1R)-1-phenylethyl]benzenesulfonamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)OCC(=O)N3CCCCCC3

Isomeric SMILES

C[C@H](C1=CC=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)OCC(=O)N3CCCCCC3

InChI

InChI=1S/C22H28N2O4S/c1-18(19-9-5-4-6-10-19)23-29(26,27)21-13-11-20(12-14-21)28-17-22(25)24-15-7-2-3-8-16-24/h4-6,9-14,18,23H,2-3,7-8,15-17H2,1H3/t18-/m1/s1