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

Systemtic Name: N-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-N-(3,4-dimethoxyphenyl)-4-methyl-benzenesulfonamide Openeye Name: N-[2-(azepan-1-yl)-2-oxo-ethyl]-N-(3,4-dimethoxyphenyl)-4-methyl-benzenesulfonamide CAS Name: N-[2-(1-azepanyl)-2-oxoethyl]-N-(3,4-dimethoxyphenyl)-4-methylbenzenesulfonamide IUPAC Name: N-[2-(azepan-1-yl)-2-oxoethyl]-N-(3,4-dimethoxyphenyl)-4-methylbenzenesulfonamide Traditional Name: N-[2-(azepan-1-yl)-2-keto-ethyl]-N-(3,4-dimethoxyphenyl)-4-methyl-benzenesulfonamide Formula: C23H30N2O5S MolecularWeight: 446.5597

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)N2CCCCCC2)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)N2CCCCCC2)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C23H30N2O5S/c1-18-8-11-20(12-9-18)31(27,28)25(17-23(26)24-14-6-4-5-7-15-24)19-10-13-21(29-2)22(16-19)30-3/h8-13,16H,4-7,14-15,17H2,1-3H3