[(2R,3R)-2-(4-methoxyphenyl)-1-(phenylmethyl)pyrrolidin-3-yl]methyl 4-methylbenzenesulfonate

Systemtic Name: [(2R,3R)-2-(4-methoxyphenyl)-1-(phenylmethyl)pyrrolidin-3-yl]methyl 4-methylbenzenesulfonate Openeye Name: [(2R,3R)-1-benzyl-2-(4-methoxyphenyl)pyrrolidin-3-yl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2R,3R)-2-(4-methoxyphenyl)-1-(phenylmethyl)-3-pyrrolidinyl]methyl ester IUPAC Name: [(2R,3R)-1-benzyl-2-(4-methoxyphenyl)pyrrolidin-3-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2R,3R)-1-benzyl-2-(4-methoxyphenyl)pyrrolidin-3-yl]methyl ester Formula: C26H29NO4S MolecularWeight: 451.57776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2CCN(C2C3=CC=C(C=C3)OC)CC4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C26H29NO4S/c1-20-8-14-25(15-9-20)32(28,29)31-19-23-16-17-27(18-21-6-4-3-5-7-21)26(23)22-10-12-24(30-2)13-11-22/h3-15,23,26H,16-19H2,1-2H3/t23-,26-/m0/s1