N-[(Z)-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]methylideneamino]-2,5-dimethyl-benzenesulfonamide

Systemtic Name: N-[(Z)-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]methylideneamino]-2,5-dimethyl-benzenesulfonamide Openeye Name: N-[(Z)-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]methyleneamino]-2,5-dimethyl-benzenesulfonamide CAS Name: N-[(Z)-[1-(2-cyanoethyl)-3-phenyl-4-pyrazolyl]methylideneamino]-2,5-dimethylbenzenesulfonamide IUPAC Name: N-[(Z)-[1-(2-cyanoethyl)-3-phenylpyrazol-4-yl]methylideneamino]-2,5-dimethylbenzenesulfonamide Traditional Name: N-[(Z)-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]methyleneamino]-2,5-dimethyl-benzenesulfonamide Formula: C21H21N5O2S MolecularWeight: 407.48874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)NN=CC2=CN(N=C2C3=CC=CC=C3)CCC#N

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N/N=C\C2=CN(N=C2C3=CC=CC=C3)CCC#N

InChI

InChI=1S/C21H21N5O2S/c1-16-9-10-17(2)20(13-16)29(27,28)25-23-14-19-15-26(12-6-11-22)24-21(19)18-7-4-3-5-8-18/h3-5,7-10,13-15,25H,6,12H2,1-2H3/b23-14-