(1-methyl-5-oxidanylidene-pyrrolidin-3-yl)methyl 4-methylbenzenesulfonate

Systemtic Name: (1-methyl-5-oxidanylidene-pyrrolidin-3-yl)methyl 4-methylbenzenesulfonate Openeye Name: (1-methyl-5-oxo-pyrrolidin-3-yl)methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (1-methyl-5-oxo-3-pyrrolidinyl)methyl ester IUPAC Name: (1-methyl-5-oxopyrrolidin-3-yl)methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (5-keto-1-methyl-pyrrolidin-3-yl)methyl ester Formula: C13H17NO4S MolecularWeight: 283.34338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2CC(=O)N(C2)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2CC(=O)N(C2)C

InChI

InChI=1S/C13H17NO4S/c1-10-3-5-12(6-4-10)19(16,17)18-9-11-7-13(15)14(2)8-11/h3-6,11H,7-9H2,1-2H3