[(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 3-(4-piperidin-1-ylsulfonylphenyl)propanoate

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 3-(4-piperidin-1-ylsulfonylphenyl)propanoate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] 3-[4-(1-piperidylsulfonyl)phenyl]propanoate CAS Name: 3-[4-(1-piperidinylsulfonyl)phenyl]propanoic acid [(E)-4-amino-3-cyano-2-oxopent-3-enyl] ester IUPAC Name: [(E)-4-amino-3-cyano-2-oxopent-3-enyl] 3-(4-piperidin-1-ylsulfonylphenyl)propanoate Traditional Name: 3-(4-piperidinosulfonylphenyl)propionic acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C20H25N3O5S MolecularWeight: 419.4946

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)COC(=O)CCC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2)N

Isomeric SMILES

C/C(=C(/C#N)\C(=O)COC(=O)CCC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2)/N

InChI

InChI=1S/C20H25N3O5S/c1-15(22)18(13-21)19(24)14-28-20(25)10-7-16-5-8-17(9-6-16)29(26,27)23-11-3-2-4-12-23/h5-6,8-9H,2-4,7,10-12,14,22H2,1H3/b18-15+