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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18FN3O5S/c1-11(20)14(9-19)16(22)10-26-17(23)15-3-2-8-21(15)27(24,25)13-6-4-12(18)5-7-13/h4-7,14-15,20H,2-3,8,10H2,1H3/t14?,15-/m0/s1