N-[2-(azepan-1-ylcarbonyl)-4,5-dimethoxy-phenyl]-N-(phenylmethyl)methanesulfonamide

Systemtic Name: N-[2-(azepan-1-ylcarbonyl)-4,5-dimethoxy-phenyl]-N-(phenylmethyl)methanesulfonamide Openeye Name: N-[2-(azepane-1-carbonyl)-4,5-dimethoxy-phenyl]-N-benzyl-methanesulfonamide CAS Name: N-[2-[1-azepanyl(oxo)methyl]-4,5-dimethoxyphenyl]-N-(phenylmethyl)methanesulfonamide IUPAC Name: N-[2-(azepane-1-carbonyl)-4,5-dimethoxyphenyl]-N-benzylmethanesulfonamide Traditional Name: N-[2-(azepane-1-carbonyl)-4,5-dimethoxy-phenyl]-N-benzyl-methanesulfonamide Formula: C23H30N2O5S MolecularWeight: 446.5597

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)N2CCCCCC2)N(CC3=CC=CC=C3)S(=O)(=O)C)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)N2CCCCCC2)N(CC3=CC=CC=C3)S(=O)(=O)C)OC

InChI

InChI=1S/C23H30N2O5S/c1-29-21-15-19(23(26)24-13-9-4-5-10-14-24)20(16-22(21)30-2)25(31(3,27)28)17-18-11-7-6-8-12-18/h6-8,11-12,15-16H,4-5,9-10,13-14,17H2,1-3H3