4-methylbenzenesulfonic acid; (phenylmethyl) 1-methyl-2-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: 4-methylbenzenesulfonic acid; (phenylmethyl) 1-methyl-2-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: benzyl 1-methyl-2-oxo-pyrrolidine-3-carboxylate; 4-methylbenzenesulfonic acid CAS Name: 4-methylbenzenesulfonic acid; 1-methyl-2-oxo-3-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 1-methyl-2-oxopyrrolidine-3-carboxylate; 4-methylbenzenesulfonic acid Traditional Name: 2-keto-1-methyl-pyrrolidine-3-carboxylic acid benzyl ester; tosylic acid Formula: C20H23NO6S MolecularWeight: 405.46472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CN1CCC(C1=O)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CN1CCC(C1=O)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C13H15NO3.C7H8O3S/c1-14-8-7-11(12(14)15)13(16)17-9-10-5-3-2-4-6-10;1-6-2-4-7(5-3-6)11(8,9)10/h2-6,11H,7-9H2,1H3;2-5H,1H3,(H,8,9,10)