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

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] (2S,4R)-1-(4-chlorophenyl)sulfonyl-4-oxidanyl-pyrrolidine-2-carboxylate Openeye Name: [2-oxo-2-(prop-2-ynylamino)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-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] (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-keto-2-(propargylamino)ethyl] ester Formula: C16H17ClN2O6S MolecularWeight: 400.83398

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC(=O)COC(=O)C1CC(CN1S(=O)(=O)C2=CC=C(C=C2)Cl)O

Isomeric SMILES

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

InChI

InChI=1S/C16H17ClN2O6S/c1-2-7-18-15(21)10-25-16(22)14-8-12(20)9-19(14)26(23,24)13-5-3-11(17)4-6-13/h1,3-6,12,14,20H,7-10H2,(H,18,21)/t12-,14+/m1/s1