(6,7-dimethoxy-1-methyl-isoquinolin-3-yl) 4-methylbenzenesulfonate

Systemtic Name: (6,7-dimethoxy-1-methyl-isoquinolin-3-yl) 4-methylbenzenesulfonate Openeye Name: (6,7-dimethoxy-1-methyl-3-isoquinolyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (6,7-dimethoxy-1-methyl-3-isoquinolinyl) ester IUPAC Name: (6,7-dimethoxy-1-methylisoquinolin-3-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (6,7-dimethoxy-1-methyl-3-isoquinolyl) ester Formula: C19H19NO5S MolecularWeight: 373.42286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=CC(=C(C=C3C(=N2)C)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=CC(=C(C=C3C(=N2)C)OC)OC

InChI

InChI=1S/C19H19NO5S/c1-12-5-7-15(8-6-12)26(21,22)25-19-10-14-9-17(23-3)18(24-4)11-16(14)13(2)20-19/h5-11H,1-4H3