[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] (2S)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] (2S)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxylate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] (2S)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxylate CAS Name: (2S)-1-(4-chlorophenyl)sulfonyl-2-pyrrolidinecarboxylic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] (2S)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxylate Traditional Name: (2S)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxylic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C16H17ClN2O5S MolecularWeight: 384.83458

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC(=O)COC(=O)C1CCCN1S(=O)(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

C#CCNC(=O)COC(=O)[C@@H]1CCCN1S(=O)(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C16H17ClN2O5S/c1-2-9-18-15(20)11-24-16(21)14-4-3-10-19(14)25(22,23)13-7-5-12(17)6-8-13/h1,5-8,14H,3-4,9-11H2,(H,18,20)/t14-/m0/s1