4-[(3,5-dimethyl-1-pyridin-4-ylcarbonyl-pyrazol-4-yl)diazenyl]-N-pyrimidin-2-yl-benzenesulfonamide

Systemtic Name: 4-[(3,5-dimethyl-1-pyridin-4-ylcarbonyl-pyrazol-4-yl)diazenyl]-N-pyrimidin-2-yl-benzenesulfonamide Openeye Name: 4-[3,5-dimethyl-1-(pyridine-4-carbonyl)pyrazol-4-yl]azo-N-pyrimidin-2-yl-benzenesulfonamide CAS Name: 4-[[3,5-dimethyl-1-[oxo(pyridin-4-yl)methyl]-4-pyrazolyl]azo]-N-(2-pyrimidinyl)benzenesulfonamide IUPAC Name: 4-[[3,5-dimethyl-1-(pyridine-4-carbonyl)pyrazol-4-yl]diazenyl]-N-pyrimidin-2-ylbenzenesulfonamide Traditional Name: 4-(1-isonicotinoyl-3,5-dimethyl-pyrazol-4-yl)azo-N-(2-pyrimidyl)benzenesulfonamide Formula: C21H18N8O3S MolecularWeight: 462.48442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(=O)C2=CC=NC=C2)C)N=NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4

Isomeric SMILES

CC1=C(C(=NN1C(=O)C2=CC=NC=C2)C)N=NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4

InChI

InChI=1S/C21H18N8O3S/c1-14-19(15(2)29(27-14)20(30)16-8-12-22-13-9-16)26-25-17-4-6-18(7-5-17)33(31,32)28-21-23-10-3-11-24-21/h3-13H,1-2H3,(H,23,24,28)