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

Systemtic Name: [2-(3-methoxyphenyl)-5-oxidanylidene-1-phenyl-pyrrolidin-3-yl]methyl 4-methylbenzenesulfonate Openeye Name: [2-(3-methoxyphenyl)-5-oxo-1-phenyl-pyrrolidin-3-yl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-(3-methoxyphenyl)-5-oxo-1-phenyl-3-pyrrolidinyl]methyl ester IUPAC Name: [2-(3-methoxyphenyl)-5-oxo-1-phenylpyrrolidin-3-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [5-keto-2-(3-methoxyphenyl)-1-phenyl-pyrrolidin-3-yl]methyl ester Formula: C25H25NO5S MolecularWeight: 451.5347

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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)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C25H25NO5S/c1-18-11-13-23(14-12-18)32(28,29)31-17-20-16-24(27)26(21-8-4-3-5-9-21)25(20)19-7-6-10-22(15-19)30-2/h3-15,20,25H,16-17H2,1-2H3