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

Systemtic Name: [(2R,3R)-2-(4-methoxyphenyl)-1-methyl-pyrrolidin-3-yl]methyl 4-nitrobenzenesulfonate Openeye Name: [(2R,3R)-2-(4-methoxyphenyl)-1-methyl-pyrrolidin-3-yl]methyl 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic 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-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid [(2R,3R)-2-(4-methoxyphenyl)-1-methyl-pyrrolidin-3-yl]methyl ester Formula: C19H22N2O6S MolecularWeight: 406.45278

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(C1C2=CC=C(C=C2)OC)COS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O6S/c1-20-12-11-15(19(20)14-3-7-17(26-2)8-4-14)13-27-28(24,25)18-9-5-16(6-10-18)21(22)23/h3-10,15,19H,11-13H2,1-2H3/t15-,19-/m0/s1