2-(1-oxidanylideneisoquinolin-2-yl)ethyl 4-methylbenzenesulfonate

Systemtic Name: 2-(1-oxidanylideneisoquinolin-2-yl)ethyl 4-methylbenzenesulfonate Openeye Name: 2-(1-oxo-2-isoquinolyl)ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-(1-oxo-2-isoquinolinyl)ethyl ester IUPAC Name: 2-(1-oxoisoquinolin-2-yl)ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-(1-keto-2-isoquinolyl)ethyl ester Formula: C18H17NO4S MolecularWeight: 343.39688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCN2C=CC3=CC=CC=C3C2=O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCN2C=CC3=CC=CC=C3C2=O

InChI

InChI=1S/C18H17NO4S/c1-14-6-8-16(9-7-14)24(21,22)23-13-12-19-11-10-15-4-2-3-5-17(15)18(19)20/h2-11H,12-13H2,1H3