[(2S)-5-oxidanylidene-1-(phenylmethyl)pyrrolidin-2-yl]methyl 4-methylbenzenesulfonate

Systemtic Name: [(2S)-5-oxidanylidene-1-(phenylmethyl)pyrrolidin-2-yl]methyl 4-methylbenzenesulfonate Openeye Name: [(2S)-1-benzyl-5-oxo-pyrrolidin-2-yl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2S)-5-oxo-1-(phenylmethyl)-2-pyrrolidinyl]methyl ester IUPAC Name: [(2S)-1-benzyl-5-oxopyrrolidin-2-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2S)-1-benzyl-5-keto-pyrrolidin-2-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)OCC2CCC(=O)N2CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC[C@@H]2CCC(=O)N2CC3=CC=CC=C3

InChI

InChI=1S/C19H21NO4S/c1-15-7-10-18(11-8-15)25(22,23)24-14-17-9-12-19(21)20(17)13-16-5-3-2-4-6-16/h2-8,10-11,17H,9,12-14H2,1H3/t17-/m0/s1