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

Systemtic Name: [(2S)-5-oxidanylidene-4,4-bis(phenylmethyl)pyrrolidin-2-yl]methyl 4-methylbenzenesulfonate Openeye Name: [(2S)-4,4-dibenzyl-5-oxo-pyrrolidin-2-yl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2S)-5-oxo-4,4-bis(phenylmethyl)-2-pyrrolidinyl]methyl ester IUPAC Name: [(2S)-4,4-dibenzyl-5-oxopyrrolidin-2-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2S)-4,4-dibenzyl-5-keto-pyrrolidin-2-yl]methyl ester Formula: C26H27NO4S MolecularWeight: 449.56188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2CC(C(=O)N2)(CC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC[C@@H]2CC(C(=O)N2)(CC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C26H27NO4S/c1-20-12-14-24(15-13-20)32(29,30)31-19-23-18-26(25(28)27-23,16-21-8-4-2-5-9-21)17-22-10-6-3-7-11-22/h2-15,23H,16-19H2,1H3,(H,27,28)/t23-/m0/s1