ethyl 1-[3-[4-[(Z)-2-cyano-3-ethoxy-3-oxidanylidene-prop-1-enyl]-1-phenyl-pyrazol-3-yl]phenyl]sulfonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[3-[4-[(Z)-2-cyano-3-ethoxy-3-oxidanylidene-prop-1-enyl]-1-phenyl-pyrazol-3-yl]phenyl]sulfonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[3-[4-[(Z)-2-cyano-3-ethoxy-3-oxo-prop-1-enyl]-1-phenyl-pyrazol-3-yl]phenyl]sulfonylpiperidine-4-carboxylate CAS Name: 1-[3-[4-[(Z)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]-1-phenyl-3-pyrazolyl]phenyl]sulfonyl-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-[4-[(Z)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]-1-phenylpyrazol-3-yl]phenyl]sulfonylpiperidine-4-carboxylate Traditional Name: 1-[3-[4-[(Z)-2-cyano-3-ethoxy-3-keto-prop-1-enyl]-1-phenyl-pyrazol-3-yl]phenyl]sulfonylisonipecotic acid ethyl ester Formula: C29H30N4O6S MolecularWeight: 562.6367

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C3=NN(C=C3C=C(C#N)C(=O)OCC)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C3=NN(C=C3/C=C(/C#N)\C(=O)OCC)C4=CC=CC=C4

InChI

InChI=1S/C29H30N4O6S/c1-3-38-28(34)21-13-15-32(16-14-21)40(36,37)26-12-8-9-22(18-26)27-24(17-23(19-30)29(35)39-4-2)20-33(31-27)25-10-6-5-7-11-25/h5-12,17-18,20-21H,3-4,13-16H2,1-2H3/b23-17-