4-[2-(azepan-1-yl)-2-oxidanylidene-ethoxy]-3-chloranyl-N-(1-phenylethyl)benzenesulfonamide

Systemtic Name: 4-[2-(azepan-1-yl)-2-oxidanylidene-ethoxy]-3-chloranyl-N-(1-phenylethyl)benzenesulfonamide Openeye Name: 4-[2-(azepan-1-yl)-2-oxo-ethoxy]-3-chloro-N-(1-phenylethyl)benzenesulfonamide CAS Name: 4-[2-(1-azepanyl)-2-oxoethoxy]-3-chloro-N-(1-phenylethyl)benzenesulfonamide IUPAC Name: 4-[2-(azepan-1-yl)-2-oxoethoxy]-3-chloro-N-(1-phenylethyl)benzenesulfonamide Traditional Name: 4-[2-(azepan-1-yl)-2-keto-ethoxy]-3-chloro-N-(1-phenylethyl)benzenesulfonamide Formula: C22H27ClN2O4S MolecularWeight: 450.97878

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C22H27ClN2O4S/c1-17(18-9-5-4-6-10-18)24-30(27,28)19-11-12-21(20(23)15-19)29-16-22(26)25-13-7-2-3-8-14-25/h4-6,9-12,15,17,24H,2-3,7-8,13-14,16H2,1H3