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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CC(C(N1S(=O)(=O)C2=CC=C(C=C2)C)C(=O)OCC3=CC=CC=C3)O

Isomeric SMILES

CCC1CC(C(N1S(=O)(=O)C2=CC=C(C=C2)C)C(=O)OCC3=CC=CC=C3)O

InChI

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