(phenylmethyl) (2S,3S)-4,4-dimethyl-1-(4-methylphenyl)sulfonyl-3-oxidanyl-pyrrolidine-2-carboxylate

Systemtic Name: (phenylmethyl) (2S,3S)-4,4-dimethyl-1-(4-methylphenyl)sulfonyl-3-oxidanyl-pyrrolidine-2-carboxylate Openeye Name: benzyl (2S,3S)-3-hydroxy-4,4-dimethyl-1-(p-tolylsulfonyl)pyrrolidine-2-carboxylate CAS Name: (2S,3S)-3-hydroxy-4,4-dimethyl-1-(4-methylphenyl)sulfonyl-2-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S,3S)-3-hydroxy-4,4-dimethyl-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate Traditional Name: (2S,3S)-3-hydroxy-4,4-dimethyl-1-tosyl-pyrrolidine-2-carboxylic acid benzyl ester Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC(C(C2C(=O)OCC3=CC=CC=C3)O)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC([C@@H]([C@H]2C(=O)OCC3=CC=CC=C3)O)(C)C

InChI

InChI=1S/C21H25NO5S/c1-15-9-11-17(12-10-15)28(25,26)22-14-21(2,3)19(23)18(22)20(24)27-13-16-7-5-4-6-8-16/h4-12,18-19,23H,13-14H2,1-3H3/t18-,19+/m0/s1