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

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 1-(4-methylphenyl)sulfonylpiperidine-2-carboxylate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] 1-(p-tolylsulfonyl)piperidine-2-carboxylate CAS Name: 1-(4-methylphenyl)sulfonyl-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-(4-methylphenyl)sulfonylpiperidine-2-carboxylate Traditional Name: 1-tosylpipecolinic acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C19H23N3O5S MolecularWeight: 405.46802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2C(=O)OCC(=O)C(=C(C)N)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2C(=O)OCC(=O)/C(=C(\C)/N)/C#N

InChI

InChI=1S/C19H23N3O5S/c1-13-6-8-15(9-7-13)28(25,26)22-10-4-3-5-17(22)19(24)27-12-18(23)16(11-20)14(2)21/h6-9,17H,3-5,10,12,21H2,1-2H3/b16-14+