2-[[1-(4-chlorophenyl)-3-methyl-4-(methylsulfamoyl)-5-oxidanylidene-pyrazol-4-yl]diazenyl]benzoic acid

Systemtic Name: 2-[[1-(4-chlorophenyl)-3-methyl-4-(methylsulfamoyl)-5-oxidanylidene-pyrazol-4-yl]diazenyl]benzoic acid Openeye Name: 2-[1-(4-chlorophenyl)-3-methyl-4-(methylsulfamoyl)-5-oxo-pyrazol-4-yl]azobenzoic acid CAS Name: 2-[[1-(4-chlorophenyl)-3-methyl-4-(methylsulfamoyl)-5-oxo-4-pyrazolyl]azo]benzoic acid IUPAC Name: 2-[[1-(4-chlorophenyl)-3-methyl-4-(methylsulfamoyl)-5-oxopyrazol-4-yl]diazenyl]benzoic acid Traditional Name: 2-[[1-(4-chlorophenyl)-5-keto-3-methyl-4-(methylsulfamoyl)-2-pyrazolin-4-yl]azo]benzoic acid Formula: C18H16ClN5O5S MolecularWeight: 449.86814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1(N=NC2=CC=CC=C2C(=O)O)S(=O)(=O)NC)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=NN(C(=O)C1(N=NC2=CC=CC=C2C(=O)O)S(=O)(=O)NC)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H16ClN5O5S/c1-11-18(30(28,29)20-2,23-21-15-6-4-3-5-14(15)16(25)26)17(27)24(22-11)13-9-7-12(19)8-10-13/h3-10,20H,1-2H3,(H,25,26)