(1-methylisoquinolin-3-yl) 4-methylbenzenesulfonate

Systemtic Name: (1-methylisoquinolin-3-yl) 4-methylbenzenesulfonate Openeye Name: (1-methyl-3-isoquinolyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (1-methyl-3-isoquinolinyl) ester IUPAC Name: (1-methylisoquinolin-3-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (1-methyl-3-isoquinolyl) ester Formula: C17H15NO3S MolecularWeight: 313.3709

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15NO3S/c1-12-7-9-15(10-8-12)22(19,20)21-17-11-14-5-3-4-6-16(14)13(2)18-17/h3-11H,1-2H3