(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) (2S)-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxylate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) (2S)-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxylate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) (2S)-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxylate CAS Name: (2S)-1-(2-fluorophenyl)sulfonyl-2-pyrrolidinecarboxylic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) (2S)-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxylate Traditional Name: (2S)-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C17H18FN3O5S MolecularWeight: 395.405323

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)COC(=O)C1CCCN1S(=O)(=O)C2=CC=CC=C2F

Isomeric SMILES

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

InChI

InChI=1S/C17H18FN3O5S/c1-11(20)12(9-19)15(22)10-26-17(23)14-6-4-8-21(14)27(24,25)16-7-3-2-5-13(16)18/h2-3,5,7,12,14,20H,4,6,8,10H2,1H3/t12?,14-/m0/s1