[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] (2S)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxylate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] (2S)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxylate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] (2S)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxylate CAS Name: (2S)-1-(4-fluorophenyl)sulfonyl-2-pyrrolidinecarboxylic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] (2S)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxylate Traditional Name: (2S)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C16H18FN3O5S MolecularWeight: 383.394623

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)OCC(=O)NCCC#N

Isomeric SMILES

C1C[C@H](N(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)OCC(=O)NCCC#N

InChI

InChI=1S/C16H18FN3O5S/c17-12-4-6-13(7-5-12)26(23,24)20-10-1-3-14(20)16(22)25-11-15(21)19-9-2-8-18/h4-7,14H,1-3,9-11H2,(H,19,21)/t14-/m0/s1