N-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-N-(4-chlorophenyl)-3,4-dimethoxy-benzenesulfonamide

Systemtic Name: N-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-N-(4-chlorophenyl)-3,4-dimethoxy-benzenesulfonamide Openeye Name: N-[2-(azepan-1-yl)-2-oxo-ethyl]-N-(4-chlorophenyl)-3,4-dimethoxy-benzenesulfonamide CAS Name: N-[2-(1-azepanyl)-2-oxoethyl]-N-(4-chlorophenyl)-3,4-dimethoxybenzenesulfonamide IUPAC Name: N-[2-(azepan-1-yl)-2-oxoethyl]-N-(4-chlorophenyl)-3,4-dimethoxybenzenesulfonamide Traditional Name: N-[2-(azepan-1-yl)-2-keto-ethyl]-N-(4-chlorophenyl)-3,4-dimethoxy-benzenesulfonamide Formula: C22H27ClN2O5S MolecularWeight: 466.97818

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N(CC(=O)N2CCCCCC2)C3=CC=C(C=C3)Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N(CC(=O)N2CCCCCC2)C3=CC=C(C=C3)Cl)OC

InChI

InChI=1S/C22H27ClN2O5S/c1-29-20-12-11-19(15-21(20)30-2)31(27,28)25(18-9-7-17(23)8-10-18)16-22(26)24-13-5-3-4-6-14-24/h7-12,15H,3-6,13-14,16H2,1-2H3