(5-oxidanylidenepyrrolidin-3-yl)methyl 4-methylbenzenesulfonate

Systemtic Name: (5-oxidanylidenepyrrolidin-3-yl)methyl 4-methylbenzenesulfonate Openeye Name: (5-oxopyrrolidin-3-yl)methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (5-oxo-3-pyrrolidinyl)methyl ester IUPAC Name: (5-oxopyrrolidin-3-yl)methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (5-ketopyrrolidin-3-yl)methyl ester Formula: C12H15NO4S MolecularWeight: 269.3168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2CC(=O)NC2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2CC(=O)NC2

InChI

InChI=1S/C12H15NO4S/c1-9-2-4-11(5-3-9)18(15,16)17-8-10-6-12(14)13-7-10/h2-5,10H,6-8H2,1H3,(H,13,14)