(phenylmethyl) 4,5-dimethyl-1-(4-methylphenyl)sulfonyl-3-oxidanyl-pyrrolidine-2-carboxylate

Systemtic Name: (phenylmethyl) 4,5-dimethyl-1-(4-methylphenyl)sulfonyl-3-oxidanyl-pyrrolidine-2-carboxylate Openeye Name: benzyl 3-hydroxy-4,5-dimethyl-1-(p-tolylsulfonyl)pyrrolidine-2-carboxylate CAS Name: 3-hydroxy-4,5-dimethyl-1-(4-methylphenyl)sulfonyl-2-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-hydroxy-4,5-dimethyl-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate Traditional Name: 3-hydroxy-4,5-dimethyl-1-tosyl-pyrrolidine-2-carboxylic acid benzyl ester Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(N(C(C1O)C(=O)OCC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)C)C

Isomeric SMILES

CC1C(N(C(C1O)C(=O)OCC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)C)C

InChI

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