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

Systemtic Name: (phenylmethyl) 4-ethyl-3-methyl-1-(4-methylphenyl)sulfonyl-3-oxidanyl-pyrrolidine-2-carboxylate Openeye Name: benzyl 4-ethyl-3-hydroxy-3-methyl-1-(p-tolylsulfonyl)pyrrolidine-2-carboxylate CAS Name: 4-ethyl-3-hydroxy-3-methyl-1-(4-methylphenyl)sulfonyl-2-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-ethyl-3-hydroxy-3-methyl-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate Traditional Name: 4-ethyl-3-hydroxy-3-methyl-1-tosyl-pyrrolidine-2-carboxylic acid benzyl ester Formula: C22H27NO5S MolecularWeight: 417.51848

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CN(C(C1(C)O)C(=O)OCC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCC1CN(C(C1(C)O)C(=O)OCC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C22H27NO5S/c1-4-18-14-23(29(26,27)19-12-10-16(2)11-13-19)20(22(18,3)25)21(24)28-15-17-8-6-5-7-9-17/h5-13,18,20,25H,4,14-15H2,1-3H3