[2-oxidanylidene-2-(propan-2-ylamino)ethyl] (2S)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylamino)ethyl] (2S)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxylate Openeye Name: [2-(isopropylamino)-2-oxo-ethyl] (2S)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxylate CAS Name: (2S)-1-(4-chlorophenyl)sulfonyl-2-pyrrolidinecarboxylic acid [2-oxo-2-(propan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylamino)ethyl] (2S)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxylate Traditional Name: (2S)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxylic acid [2-(isopropylamino)-2-keto-ethyl] ester Formula: C16H21ClN2O5S MolecularWeight: 388.86634

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)COC(=O)C1CCCN1S(=O)(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

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

InChI

InChI=1S/C16H21ClN2O5S/c1-11(2)18-15(20)10-24-16(21)14-4-3-9-19(14)25(22,23)13-7-5-12(17)6-8-13/h5-8,11,14H,3-4,9-10H2,1-2H3,(H,18,20)/t14-/m0/s1