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

Systemtic Name: N-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-3,4-dimethoxy-N-(4-methoxyphenyl)benzenesulfonamide Openeye Name: N-[2-(azepan-1-yl)-2-oxo-ethyl]-3,4-dimethoxy-N-(4-methoxyphenyl)benzenesulfonamide CAS Name: N-[2-(1-azepanyl)-2-oxoethyl]-3,4-dimethoxy-N-(4-methoxyphenyl)benzenesulfonamide IUPAC Name: N-[2-(azepan-1-yl)-2-oxoethyl]-3,4-dimethoxy-N-(4-methoxyphenyl)benzenesulfonamide Traditional Name: N-[2-(azepan-1-yl)-2-keto-ethyl]-3,4-dimethoxy-N-(4-methoxyphenyl)benzenesulfonamide Formula: C23H30N2O6S MolecularWeight: 462.5591

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N2O6S/c1-29-19-10-8-18(9-11-19)25(17-23(26)24-14-6-4-5-7-15-24)32(27,28)20-12-13-21(30-2)22(16-20)31-3/h8-13,16H,4-7,14-15,17H2,1-3H3