[2-oxidanylidene-2-(propan-2-ylcarbamoylamino)ethyl] (2S)-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylcarbamoylamino)ethyl] (2S)-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxylate Openeye Name: [2-(isopropylcarbamoylamino)-2-oxo-ethyl] (2S)-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxylate CAS Name: (2S)-1-(2-fluorophenyl)sulfonyl-2-pyrrolidinecarboxylic acid [2-oxo-2-[[oxo-(propan-2-ylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] (2S)-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxylate Traditional Name: (2S)-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid [2-(isopropylcarbamoylamino)-2-keto-ethyl] ester Formula: C17H22FN3O6S MolecularWeight: 415.436483

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NC(=O)COC(=O)C1CCCN1S(=O)(=O)C2=CC=CC=C2F

Isomeric SMILES

CC(C)NC(=O)NC(=O)COC(=O)[C@@H]1CCCN1S(=O)(=O)C2=CC=CC=C2F

InChI

InChI=1S/C17H22FN3O6S/c1-11(2)19-17(24)20-15(22)10-27-16(23)13-7-5-9-21(13)28(25,26)14-8-4-3-6-12(14)18/h3-4,6,8,11,13H,5,7,9-10H2,1-2H3,(H2,19,20,22,24)/t13-/m0/s1