2-(3-oxidanylidene-1H-isoindol-2-yl)ethyl 4-methylbenzenesulfonate

Systemtic Name: 2-(3-oxidanylidene-1H-isoindol-2-yl)ethyl 4-methylbenzenesulfonate Openeye Name: 2-(1-oxoisoindolin-2-yl)ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-(3-oxo-1H-isoindol-2-yl)ethyl ester IUPAC Name: 2-(3-oxo-1H-isoindol-2-yl)ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-(1-ketoisoindolin-2-yl)ethyl ester Formula: C17H17NO4S MolecularWeight: 331.38618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCN2CC3=CC=CC=C3C2=O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCN2CC3=CC=CC=C3C2=O

InChI

InChI=1S/C17H17NO4S/c1-13-6-8-15(9-7-13)23(20,21)22-11-10-18-12-14-4-2-3-5-16(14)17(18)19/h2-9H,10-12H2,1H3