[(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 1-(phenylsulfonyl)piperidine-2-carboxylate

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 1-(phenylsulfonyl)piperidine-2-carboxylate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] 1-(benzenesulfonyl)piperidine-2-carboxylate CAS Name: 1-(benzenesulfonyl)-2-piperidinecarboxylic acid [(E)-4-amino-3-cyano-2-oxopent-3-enyl] ester IUPAC Name: [(E)-4-amino-3-cyano-2-oxopent-3-enyl] 1-(benzenesulfonyl)piperidine-2-carboxylate Traditional Name: 1-besylpipecolinic acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C18H21N3O5S MolecularWeight: 391.44144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

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/h2-4,7-8,16H,5-6,9-10,12,20H2,1H3/b15-13+