3-(azepan-1-ylcarbonyl)-N-(2,4-dimethoxyphenyl)-4-methoxy-benzenesulfonamide

Systemtic Name: 3-(azepan-1-ylcarbonyl)-N-(2,4-dimethoxyphenyl)-4-methoxy-benzenesulfonamide Openeye Name: 3-(azepane-1-carbonyl)-N-(2,4-dimethoxyphenyl)-4-methoxy-benzenesulfonamide CAS Name: 3-[1-azepanyl(oxo)methyl]-N-(2,4-dimethoxyphenyl)-4-methoxybenzenesulfonamide IUPAC Name: 3-(azepane-1-carbonyl)-N-(2,4-dimethoxyphenyl)-4-methoxybenzenesulfonamide Traditional Name: 3-(azepane-1-carbonyl)-N-(2,4-dimethoxyphenyl)-4-methoxy-benzenesulfonamide Formula: C22H28N2O6S MolecularWeight: 448.53252

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)OC)C(=O)N3CCCCCC3)OC

Isomeric SMILES

COC1=CC(=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)OC)C(=O)N3CCCCCC3)OC

InChI

InChI=1S/C22H28N2O6S/c1-28-16-8-10-19(21(14-16)30-3)23-31(26,27)17-9-11-20(29-2)18(15-17)22(25)24-12-6-4-5-7-13-24/h8-11,14-15,23H,4-7,12-13H2,1-3H3