[2-(3-methoxyphenyl)-5-oxidanylidene-1-(phenylmethyl)pyrrolidin-3-yl]methyl 4-methylbenzenesulfonate

Systemtic Name: [2-(3-methoxyphenyl)-5-oxidanylidene-1-(phenylmethyl)pyrrolidin-3-yl]methyl 4-methylbenzenesulfonate Openeye Name: [1-benzyl-2-(3-methoxyphenyl)-5-oxo-pyrrolidin-3-yl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-(3-methoxyphenyl)-5-oxo-1-(phenylmethyl)-3-pyrrolidinyl]methyl ester IUPAC Name: [1-benzyl-2-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [1-benzyl-5-keto-2-(3-methoxyphenyl)pyrrolidin-3-yl]methyl ester Formula: C26H27NO5S MolecularWeight: 465.56128

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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)OC)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2CC(=O)N(C2C3=CC(=CC=C3)OC)CC4=CC=CC=C4

InChI

InChI=1S/C26H27NO5S/c1-19-11-13-24(14-12-19)33(29,30)32-18-22-16-25(28)27(17-20-7-4-3-5-8-20)26(22)21-9-6-10-23(15-21)31-2/h3-15,22,26H,16-18H2,1-2H3