[2-(2-methylpropylamino)-2-oxidanylidene-ethyl] (2S,4R)-1-(4-chlorophenyl)sulfonyl-4-oxidanyl-pyrrolidine-2-carboxylate

Systemtic Name: [2-(2-methylpropylamino)-2-oxidanylidene-ethyl] (2S,4R)-1-(4-chlorophenyl)sulfonyl-4-oxidanyl-pyrrolidine-2-carboxylate Openeye Name: [2-(isobutylamino)-2-oxo-ethyl] (2S,4R)-1-(4-chlorophenyl)sulfonyl-4-hydroxy-pyrrolidine-2-carboxylate CAS Name: (2S,4R)-1-(4-chlorophenyl)sulfonyl-4-hydroxy-2-pyrrolidinecarboxylic acid [2-(2-methylpropylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylpropylamino)-2-oxoethyl] (2S,4R)-1-(4-chlorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxylate Traditional Name: (2S,4R)-1-(4-chlorophenyl)sulfonyl-4-hydroxy-pyrrolidine-2-carboxylic acid [2-(isobutylamino)-2-keto-ethyl] ester Formula: C17H23ClN2O6S MolecularWeight: 418.89232

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)COC(=O)C1CC(CN1S(=O)(=O)C2=CC=C(C=C2)Cl)O

Isomeric SMILES

CC(C)CNC(=O)COC(=O)[C@@H]1C[C@H](CN1S(=O)(=O)C2=CC=C(C=C2)Cl)O

InChI

InChI=1S/C17H23ClN2O6S/c1-11(2)8-19-16(22)10-26-17(23)15-7-13(21)9-20(15)27(24,25)14-5-3-12(18)4-6-14/h3-6,11,13,15,21H,7-10H2,1-2H3,(H,19,22)/t13-,15+/m1/s1