(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) (2R)-1-(phenylsulfonyl)piperidine-2-carboxylate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) (2R)-1-(phenylsulfonyl)piperidine-2-carboxylate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) (2R)-1-(benzenesulfonyl)piperidine-2-carboxylate CAS Name: (2R)-1-(benzenesulfonyl)-2-piperidinecarboxylic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) (2R)-1-(benzenesulfonyl)piperidine-2-carboxylate Traditional Name: (2R)-1-besylpipecolinic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C18H21N3O5S MolecularWeight: 391.44144

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)COC(=O)C1CCCCN1S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)[C@H]1CCCCN1S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C18H21N3O5S/c1-13(20)15(11-19)17(22)12-26-18(23)16-9-5-6-10-21(16)27(24,25)14-7-3-2-4-8-14/h2-4,7-8,15-16,20H,5-6,9-10,12H2,1H3/t15?,16-/m1/s1