(1-methyl-5-oxidanylidene-2-phenyl-pyrrolidin-3-yl)methyl 4-methylbenzenesulfonate

Systemtic Name: (1-methyl-5-oxidanylidene-2-phenyl-pyrrolidin-3-yl)methyl 4-methylbenzenesulfonate Openeye Name: (1-methyl-5-oxo-2-phenyl-pyrrolidin-3-yl)methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (1-methyl-5-oxo-2-phenyl-3-pyrrolidinyl)methyl ester IUPAC Name: (1-methyl-5-oxo-2-phenylpyrrolidin-3-yl)methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (5-keto-1-methyl-2-phenyl-pyrrolidin-3-yl)methyl ester Formula: C19H21NO4S MolecularWeight: 359.43934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2CC(=O)N(C2C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2CC(=O)N(C2C3=CC=CC=C3)C

InChI

InChI=1S/C19H21NO4S/c1-14-8-10-17(11-9-14)25(22,23)24-13-16-12-18(21)20(2)19(16)15-6-4-3-5-7-15/h3-11,16,19H,12-13H2,1-2H3