N-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxy-phenyl]-4-methylsulfanyl-benzenesulfonamide

Systemtic Name: N-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxy-phenyl]-4-methylsulfanyl-benzenesulfonamide Openeye Name: N-[2-[(6,7-dimethoxy-1-isoquinolyl)methyl]-4,5-dimethoxy-phenyl]-4-methylsulfanyl-benzenesulfonamide CAS Name: N-[2-[(6,7-dimethoxy-1-isoquinolinyl)methyl]-4,5-dimethoxyphenyl]-4-(methylthio)benzenesulfonamide IUPAC Name: N-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl]-4-methylsulfanylbenzenesulfonamide Traditional Name: N-[2-[(6,7-dimethoxy-1-isoquinolyl)methyl]-4,5-dimethoxy-phenyl]-4-(methylthio)benzenesulfonamide Formula: C27H28N2O6S2 MolecularWeight: 540.65102

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C=CN=C2CC3=CC(=C(C=C3NS(=O)(=O)C4=CC=C(C=C4)SC)OC)OC)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C=CN=C2CC3=CC(=C(C=C3NS(=O)(=O)C4=CC=C(C=C4)SC)OC)OC)OC

InChI

InChI=1S/C27H28N2O6S2/c1-32-24-13-17-10-11-28-23(21(17)15-26(24)34-3)12-18-14-25(33-2)27(35-4)16-22(18)29-37(30,31)20-8-6-19(36-5)7-9-20/h6-11,13-16,29H,12H2,1-5H3