2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxy-benzenesulfonate

Systemtic Name: 2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxy-benzenesulfonate Openeye Name: 2-[(6,7-dimethoxy-1-isoquinolyl)methyl]-4,5-dimethoxy-benzenesulfonate CAS Name: 2-[(6,7-dimethoxy-1-isoquinolinyl)methyl]-4,5-dimethoxybenzenesulfonate IUPAC Name: 2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxybenzenesulfonate Traditional Name: 2-[(6,7-dimethoxy-1-isoquinolyl)methyl]-4,5-dimethoxy-besylate Formula: C20H20NO7S- MolecularWeight: 418.4403

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C=CN=C2CC3=CC(=C(C=C3S(=O)(=O)[O-])OC)OC)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C=CN=C2CC3=CC(=C(C=C3S(=O)(=O)[O-])OC)OC)OC

InChI

InChI=1S/C20H21NO7S/c1-25-16-8-12-5-6-21-15(14(12)10-18(16)27-3)7-13-9-17(26-2)19(28-4)11-20(13)29(22,23)24/h5-6,8-11H,7H2,1-4H3,(H,22,23,24)/p-1