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

Systemtic Name: (phenylmethyl) 4-ethyl-1-(4-methylphenyl)sulfonyl-5-oxidanylidene-pyrrolidine-2-carboxylate Openeye Name: benzyl 4-ethyl-5-oxo-1-(p-tolylsulfonyl)pyrrolidine-2-carboxylate CAS Name: 4-ethyl-1-(4-methylphenyl)sulfonyl-5-oxo-2-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-ethyl-1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxylate Traditional Name: 4-ethyl-5-keto-1-tosyl-pyrrolidine-2-carboxylic acid benzyl ester Formula: C21H23NO5S MolecularWeight: 401.47602

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CC(N(C1=O)S(=O)(=O)C2=CC=C(C=C2)C)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCC1CC(N(C1=O)S(=O)(=O)C2=CC=C(C=C2)C)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C21H23NO5S/c1-3-17-13-19(21(24)27-14-16-7-5-4-6-8-16)22(20(17)23)28(25,26)18-11-9-15(2)10-12-18/h4-12,17,19H,3,13-14H2,1-2H3