N-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-N-(4-chlorophenyl)-4-methoxy-benzenesulfonamide

Systemtic Name: N-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-N-(4-chlorophenyl)-4-methoxy-benzenesulfonamide Openeye Name: N-[2-(azepan-1-yl)-2-oxo-ethyl]-N-(4-chlorophenyl)-4-methoxy-benzenesulfonamide CAS Name: N-[2-(1-azepanyl)-2-oxoethyl]-N-(4-chlorophenyl)-4-methoxybenzenesulfonamide IUPAC Name: N-[2-(azepan-1-yl)-2-oxoethyl]-N-(4-chlorophenyl)-4-methoxybenzenesulfonamide Traditional Name: N-[2-(azepan-1-yl)-2-keto-ethyl]-N-(4-chlorophenyl)-4-methoxy-benzenesulfonamide Formula: C21H25ClN2O4S MolecularWeight: 436.9522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClN2O4S/c1-28-19-10-12-20(13-11-19)29(26,27)24(18-8-6-17(22)7-9-18)16-21(25)23-14-4-2-3-5-15-23/h6-13H,2-5,14-16H2,1H3