isoquinolin-4-yl 4-methylbenzenesulfonate

Systemtic Name: isoquinolin-4-yl 4-methylbenzenesulfonate Openeye Name: 4-isoquinolyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 4-isoquinolinyl ester IUPAC Name: isoquinolin-4-yl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 4-isoquinolyl ester Formula: C16H13NO3S MolecularWeight: 299.34432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CN=CC3=CC=CC=C32

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CN=CC3=CC=CC=C32

InChI

InChI=1S/C16H13NO3S/c1-12-6-8-14(9-7-12)21(18,19)20-16-11-17-10-13-4-2-3-5-15(13)16/h2-11H,1H3