4-[[1-(4-chlorophenyl)carbonyl-3-methyl-5-oxidanylidene-4H-pyrazol-4-yl]diazenyl]-N-pyrimidin-2-yl-benzenesulfonamide

Systemtic Name: 4-[[1-(4-chlorophenyl)carbonyl-3-methyl-5-oxidanylidene-4H-pyrazol-4-yl]diazenyl]-N-pyrimidin-2-yl-benzenesulfonamide Openeye Name: 4-[[1-(4-chlorobenzoyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]azo]-N-pyrimidin-2-yl-benzenesulfonamide CAS Name: 4-[[1-[(4-chlorophenyl)-oxomethyl]-3-methyl-5-oxo-4H-pyrazol-4-yl]azo]-N-(2-pyrimidinyl)benzenesulfonamide IUPAC Name: 4-[[1-(4-chlorobenzoyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]-N-pyrimidin-2-ylbenzenesulfonamide Traditional Name: 4-[[1-(4-chlorobenzoyl)-5-keto-3-methyl-2-pyrazolin-4-yl]azo]-N-(2-pyrimidyl)benzenesulfonamide Formula: C21H16ClN7O4S MolecularWeight: 497.91424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1N=NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3)C(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=NN(C(=O)C1N=NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3)C(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H16ClN7O4S/c1-13-18(20(31)29(27-13)19(30)14-3-5-15(22)6-4-14)26-25-16-7-9-17(10-8-16)34(32,33)28-21-23-11-2-12-24-21/h2-12,18H,1H3,(H,23,24,28)