[2-oxidanylidene-2-(pentan-3-ylamino)ethyl] (2S)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-(pentan-3-ylamino)ethyl] (2S)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxylate Openeye Name: [2-(1-ethylpropylamino)-2-oxo-ethyl] (2S)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxylate CAS Name: (2S)-1-(4-fluorophenyl)sulfonyl-2-pyrrolidinecarboxylic acid [2-oxo-2-(pentan-3-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-3-ylamino)ethyl] (2S)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxylate Traditional Name: (2S)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid [2-(1-ethylpropylamino)-2-keto-ethyl] ester Formula: C18H25FN2O5S MolecularWeight: 400.464903

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)COC(=O)C1CCCN1S(=O)(=O)C2=CC=C(C=C2)F

Isomeric SMILES

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

InChI

InChI=1S/C18H25FN2O5S/c1-3-14(4-2)20-17(22)12-26-18(23)16-6-5-11-21(16)27(24,25)15-9-7-13(19)8-10-15/h7-10,14,16H,3-6,11-12H2,1-2H3,(H,20,22)/t16-/m0/s1