methyl (2R,3R)-1-(4-methoxyphenyl)sulfonyl-4,4-dimethyl-3-[(phenylmethylsulfanyl)methyl]pyrrolidine-2-carboxylate

Systemtic Name: methyl (2R,3R)-1-(4-methoxyphenyl)sulfonyl-4,4-dimethyl-3-[(phenylmethylsulfanyl)methyl]pyrrolidine-2-carboxylate Openeye Name: methyl (2R,3R)-3-(benzylsulfanylmethyl)-1-(4-methoxyphenyl)sulfonyl-4,4-dimethyl-pyrrolidine-2-carboxylate CAS Name: (2R,3R)-1-(4-methoxyphenyl)sulfonyl-4,4-dimethyl-3-[(phenylmethylthio)methyl]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2R,3R)-3-(benzylsulfanylmethyl)-1-(4-methoxyphenyl)sulfonyl-4,4-dimethylpyrrolidine-2-carboxylate Traditional Name: (2R,3R)-3-[(benzylthio)methyl]-1-(4-methoxyphenyl)sulfonyl-4,4-dimethyl-pyrrolidine-2-carboxylic acid methyl ester Formula: C23H29NO5S2 MolecularWeight: 463.61006

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(C(C1CSCC2=CC=CC=C2)C(=O)OC)S(=O)(=O)C3=CC=C(C=C3)OC)C

Isomeric SMILES

CC1(CN([C@H]([C@@H]1CSCC2=CC=CC=C2)C(=O)OC)S(=O)(=O)C3=CC=C(C=C3)OC)C

InChI

InChI=1S/C23H29NO5S2/c1-23(2)16-24(31(26,27)19-12-10-18(28-3)11-13-19)21(22(25)29-4)20(23)15-30-14-17-8-6-5-7-9-17/h5-13,20-21H,14-16H2,1-4H3/t20-,21+/m0/s1