(1-methyl-5-oxidanylidene-pyrrolidin-3-yl)methyl 4-methylbenzenesulfonate; 1-methyl-4-(phenoxymethyl)pyrrolidin-2-one

Systemtic Name: (1-methyl-5-oxidanylidene-pyrrolidin-3-yl)methyl 4-methylbenzenesulfonate; 1-methyl-4-(phenoxymethyl)pyrrolidin-2-one Openeye Name: (1-methyl-5-oxo-pyrrolidin-3-yl)methyl 4-methylbenzenesulfonate; 1-methyl-4-(phenoxymethyl)pyrrolidin-2-one CAS Name: 4-methylbenzenesulfonic acid (1-methyl-5-oxo-3-pyrrolidinyl)methyl ester; 1-methyl-4-(phenoxymethyl)-2-pyrrolidinone IUPAC Name: (1-methyl-5-oxopyrrolidin-3-yl)methyl 4-methylbenzenesulfonate; 1-methyl-4-(phenoxymethyl)pyrrolidin-2-one Traditional Name: 4-methylbenzenesulfonic acid (5-keto-1-methyl-pyrrolidin-3-yl)methyl ester; 1-methyl-4-(phenoxymethyl)-2-pyrrolidone Formula: C25H32N2O6S MolecularWeight: 488.59638

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.CN1CC(CC1=O)COC2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2CC(=O)N(C2)C.CN1CC(CC1=O)COC2=CC=CC=C2

InChI

InChI=1S/C13H17NO4S.C12H15NO2/c1-10-3-5-12(6-4-10)19(16,17)18-9-11-7-13(15)14(2)8-11;1-13-8-10(7-12(13)14)9-15-11-5-3-2-4-6-11/h3-6,11H,7-9H2,1-2H3;2-6,10H,7-9H2,1H3