[4-ethyl-1,3-bis(oxidanylidene)isoindol-5-yl]methyl 4-methylbenzenesulfonate

Systemtic Name: [4-ethyl-1,3-bis(oxidanylidene)isoindol-5-yl]methyl 4-methylbenzenesulfonate Openeye Name: (4-ethyl-1,3-dioxo-isoindolin-5-yl)methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (4-ethyl-1,3-dioxo-5-isoindolyl)methyl ester IUPAC Name: (4-ethyl-1,3-dioxoisoindol-5-yl)methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (4-ethyl-1,3-diketo-isoindolin-5-yl)methyl ester Formula: C18H17NO5S MolecularWeight: 359.39628

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC2=C1C(=O)NC2=O)COS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCC1=C(C=CC2=C1C(=O)NC2=O)COS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C18H17NO5S/c1-3-14-12(6-9-15-16(14)18(21)19-17(15)20)10-24-25(22,23)13-7-4-11(2)5-8-13/h4-9H,3,10H2,1-2H3,(H,19,20,21)