(1-methyl-5-oxidanylidene-pyrrolidin-2-yl)methyl 4-methylbenzenesulfonate

Systemtic Name: (1-methyl-5-oxidanylidene-pyrrolidin-2-yl)methyl 4-methylbenzenesulfonate Openeye Name: (1-methyl-5-oxo-pyrrolidin-2-yl)methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (1-methyl-5-oxo-2-pyrrolidinyl)methyl ester IUPAC Name: (1-methyl-5-oxopyrrolidin-2-yl)methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (5-keto-1-methyl-pyrrolidin-2-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)OCC2CCC(=O)N2C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2CCC(=O)N2C

InChI

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