3-[4-(2-cyano-3-morpholin-4-yl-3-oxidanylidene-prop-1-enyl)-1-phenyl-pyrazol-3-yl]-N,N-diethyl-benzenesulfonamide

Systemtic Name: 3-[4-(2-cyano-3-morpholin-4-yl-3-oxidanylidene-prop-1-enyl)-1-phenyl-pyrazol-3-yl]-N,N-diethyl-benzenesulfonamide Openeye Name: 3-[4-(2-cyano-3-morpholino-3-oxo-prop-1-enyl)-1-phenyl-pyrazol-3-yl]-N,N-diethyl-benzenesulfonamide CAS Name: 3-[4-[2-cyano-3-(4-morpholinyl)-3-oxoprop-1-enyl]-1-phenyl-3-pyrazolyl]-N,N-diethylbenzenesulfonamide IUPAC Name: 3-[4-(2-cyano-3-morpholin-4-yl-3-oxoprop-1-enyl)-1-phenylpyrazol-3-yl]-N,N-diethylbenzenesulfonamide Traditional Name: 3-[4-(2-cyano-3-keto-3-morpholino-prop-1-enyl)-1-phenyl-pyrazol-3-yl]-N,N-diethyl-benzenesulfonamide Formula: C27H29N5O4S MolecularWeight: 519.61526

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NN(C=C2C=C(C#N)C(=O)N3CCOCC3)C4=CC=CC=C4

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NN(C=C2C=C(C#N)C(=O)N3CCOCC3)C4=CC=CC=C4

InChI

InChI=1S/C27H29N5O4S/c1-3-31(4-2)37(34,35)25-12-8-9-21(18-25)26-23(20-32(29-26)24-10-6-5-7-11-24)17-22(19-28)27(33)30-13-15-36-16-14-30/h5-12,17-18,20H,3-4,13-16H2,1-2H3