methyl (2R,3R)-1-(4-methoxyphenyl)sulfonyl-4,4-dimethyl-3-(phenethylsulfanylmethyl)pyrrolidine-2-carboxylate

Systemtic Name: methyl (2R,3R)-1-(4-methoxyphenyl)sulfonyl-4,4-dimethyl-3-(phenethylsulfanylmethyl)pyrrolidine-2-carboxylate Openeye Name: methyl (2R,3R)-1-(4-methoxyphenyl)sulfonyl-4,4-dimethyl-3-(phenethylsulfanylmethyl)pyrrolidine-2-carboxylate CAS Name: (2R,3R)-1-(4-methoxyphenyl)sulfonyl-4,4-dimethyl-3-[(phenethylthio)methyl]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2R,3R)-1-(4-methoxyphenyl)sulfonyl-4,4-dimethyl-3-(phenethylsulfanylmethyl)pyrrolidine-2-carboxylate Traditional Name: (2R,3R)-1-(4-methoxyphenyl)sulfonyl-4,4-dimethyl-3-[(phenethylthio)methyl]pyrrolidine-2-carboxylic acid methyl ester Formula: C24H31NO5S2 MolecularWeight: 477.63664

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(C(C1CSCCC2=CC=CC=C2)C(=O)OC)S(=O)(=O)C3=CC=C(C=C3)OC)C

Isomeric SMILES

CC1(CN([C@H]([C@@H]1CSCCC2=CC=CC=C2)C(=O)OC)S(=O)(=O)C3=CC=C(C=C3)OC)C

InChI

InChI=1S/C24H31NO5S2/c1-24(2)17-25(32(27,28)20-12-10-19(29-3)11-13-20)22(23(26)30-4)21(24)16-31-15-14-18-8-6-5-7-9-18/h5-13,21-22H,14-17H2,1-4H3/t21-,22+/m0/s1