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

Systemtic Name: [(2R,3R)-2-(4-methoxyphenyl)-1-methyl-pyrrolidin-3-yl]methyl 4-bromanylbenzenesulfonate Openeye Name: [(2R,3R)-2-(4-methoxyphenyl)-1-methyl-pyrrolidin-3-yl]methyl 4-bromobenzenesulfonate CAS Name: 4-bromobenzenesulfonic acid [(2R,3R)-2-(4-methoxyphenyl)-1-methyl-3-pyrrolidinyl]methyl ester IUPAC Name: [(2R,3R)-2-(4-methoxyphenyl)-1-methylpyrrolidin-3-yl]methyl 4-bromobenzenesulfonate Traditional Name: 4-bromobenzenesulfonic acid [(2R,3R)-2-(4-methoxyphenyl)-1-methyl-pyrrolidin-3-yl]methyl ester Formula: C19H22BrNO4S MolecularWeight: 440.35128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(C1C2=CC=C(C=C2)OC)COS(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CN1CC[C@H]([C@@H]1C2=CC=C(C=C2)OC)COS(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C19H22BrNO4S/c1-21-12-11-15(19(21)14-3-7-17(24-2)8-4-14)13-25-26(22,23)18-9-5-16(20)6-10-18/h3-10,15,19H,11-13H2,1-2H3/t15-,19-/m0/s1