2-[1,3-bis(oxidanylidene)isoindol-4-yl]ethyl 4-methylbenzenesulfonate

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-4-yl]ethyl 4-methylbenzenesulfonate Openeye Name: 2-(1,3-dioxoisoindolin-4-yl)ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-(1,3-dioxo-4-isoindolyl)ethyl ester IUPAC Name: 2-(1,3-dioxoisoindol-4-yl)ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-(1,3-diketoisoindolin-4-yl)ethyl ester Formula: C17H15NO5S MolecularWeight: 345.3697

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCC2=CC=CC3=C2C(=O)NC3=O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCC2=CC=CC3=C2C(=O)NC3=O

InChI

InChI=1S/C17H15NO5S/c1-11-5-7-13(8-6-11)24(21,22)23-10-9-12-3-2-4-14-15(12)17(20)18-16(14)19/h2-8H,9-10H2,1H3,(H,18,19,20)