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

Systemtic Name: [(2R,3R)-2-phenyl-1-(phenylmethyl)pyrrolidin-3-yl]methyl 4-methylbenzenesulfonate Openeye Name: [(2R,3R)-1-benzyl-2-phenyl-pyrrolidin-3-yl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2R,3R)-2-phenyl-1-(phenylmethyl)-3-pyrrolidinyl]methyl ester IUPAC Name: [(2R,3R)-1-benzyl-2-phenylpyrrolidin-3-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2R,3R)-1-benzyl-2-phenyl-pyrrolidin-3-yl]methyl ester Formula: C25H27NO3S MolecularWeight: 421.55178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27NO3S/c1-20-12-14-24(15-13-20)30(27,28)29-19-23-16-17-26(18-21-8-4-2-5-9-21)25(23)22-10-6-3-7-11-22/h2-15,23,25H,16-19H2,1H3/t23-,25-/m0/s1