[2-oxidanylidene-2-(propylamino)ethyl] (2S,4R)-1-(3,4-dimethylphenyl)sulfonyl-4-oxidanyl-pyrrolidine-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-(propylamino)ethyl] (2S,4R)-1-(3,4-dimethylphenyl)sulfonyl-4-oxidanyl-pyrrolidine-2-carboxylate Openeye Name: [2-oxo-2-(propylamino)ethyl] (2S,4R)-1-(3,4-dimethylphenyl)sulfonyl-4-hydroxy-pyrrolidine-2-carboxylate CAS Name: (2S,4R)-1-(3,4-dimethylphenyl)sulfonyl-4-hydroxy-2-pyrrolidinecarboxylic acid [2-oxo-2-(propylamino)ethyl] ester IUPAC Name: [2-oxo-2-(propylamino)ethyl] (2S,4R)-1-(3,4-dimethylphenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxylate Traditional Name: (2S,4R)-1-(3,4-dimethylphenyl)sulfonyl-4-hydroxy-pyrrolidine-2-carboxylic acid [2-keto-2-(propylamino)ethyl] ester Formula: C18H26N2O6S MolecularWeight: 398.47384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)COC(=O)C1CC(CN1S(=O)(=O)C2=CC(=C(C=C2)C)C)O

Isomeric SMILES

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

InChI

InChI=1S/C18H26N2O6S/c1-4-7-19-17(22)11-26-18(23)16-9-14(21)10-20(16)27(24,25)15-6-5-12(2)13(3)8-15/h5-6,8,14,16,21H,4,7,9-11H2,1-3H3,(H,19,22)/t14-,16+/m1/s1