[(2R)-5-oxidanylidenepyrrolidin-2-yl]methyl 4-methylbenzenesulfonate

Systemtic Name: [(2R)-5-oxidanylidenepyrrolidin-2-yl]methyl 4-methylbenzenesulfonate Openeye Name: [(2R)-5-oxopyrrolidin-2-yl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2R)-5-oxo-2-pyrrolidinyl]methyl ester IUPAC Name: [(2R)-5-oxopyrrolidin-2-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2R)-5-ketopyrrolidin-2-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)OCC2CCC(=O)N2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC[C@H]2CCC(=O)N2

InChI

InChI=1S/C12H15NO4S/c1-9-2-5-11(6-3-9)18(15,16)17-8-10-4-7-12(14)13-10/h2-3,5-6,10H,4,7-8H2,1H3,(H,13,14)/t10-/m1/s1