(6,7-dimethoxy-1-methyl-isoquinolin-3-yl) 4-propan-2-ylbenzenesulfonate

Systemtic Name: (6,7-dimethoxy-1-methyl-isoquinolin-3-yl) 4-propan-2-ylbenzenesulfonate Openeye Name: (6,7-dimethoxy-1-methyl-3-isoquinolyl) 4-isopropylbenzenesulfonate CAS Name: 4-propan-2-ylbenzenesulfonic acid (6,7-dimethoxy-1-methyl-3-isoquinolinyl) ester IUPAC Name: (6,7-dimethoxy-1-methylisoquinolin-3-yl) 4-propan-2-ylbenzenesulfonate Traditional Name: 4-isopropylbenzenesulfonic acid (6,7-dimethoxy-1-methyl-3-isoquinolyl) ester Formula: C21H23NO5S MolecularWeight: 401.47602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC2=CC(=C(C=C12)OC)OC)OS(=O)(=O)C3=CC=C(C=C3)C(C)C

Isomeric SMILES

CC1=NC(=CC2=CC(=C(C=C12)OC)OC)OS(=O)(=O)C3=CC=C(C=C3)C(C)C

InChI

InChI=1S/C21H23NO5S/c1-13(2)15-6-8-17(9-7-15)28(23,24)27-21-11-16-10-19(25-4)20(26-5)12-18(16)14(3)22-21/h6-13H,1-5H3