3-(azepan-1-ylcarbonyl)-N-(1,3-benzodioxol-5-ylmethyl)-4-methoxy-benzenesulfonamide

Systemtic Name: 3-(azepan-1-ylcarbonyl)-N-(1,3-benzodioxol-5-ylmethyl)-4-methoxy-benzenesulfonamide Openeye Name: 3-(azepane-1-carbonyl)-N-(1,3-benzodioxol-5-ylmethyl)-4-methoxy-benzenesulfonamide CAS Name: 3-[1-azepanyl(oxo)methyl]-N-(1,3-benzodioxol-5-ylmethyl)-4-methoxybenzenesulfonamide IUPAC Name: 3-(azepane-1-carbonyl)-N-(1,3-benzodioxol-5-ylmethyl)-4-methoxybenzenesulfonamide Traditional Name: 3-(azepane-1-carbonyl)-4-methoxy-N-piperonyl-benzenesulfonamide Formula: C22H26N2O6S MolecularWeight: 446.51664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)NCC2=CC3=C(C=C2)OCO3)C(=O)N4CCCCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)NCC2=CC3=C(C=C2)OCO3)C(=O)N4CCCCCC4

InChI

InChI=1S/C22H26N2O6S/c1-28-19-9-7-17(13-18(19)22(25)24-10-4-2-3-5-11-24)31(26,27)23-14-16-6-8-20-21(12-16)30-15-29-20/h6-9,12-13,23H,2-5,10-11,14-15H2,1H3