4-[[3-methyl-5-oxidanylidene-1-(4-sulfamoylphenyl)-4H-pyrazol-4-yl]diazenyl]benzoic acid

Systemtic Name: 4-[[3-methyl-5-oxidanylidene-1-(4-sulfamoylphenyl)-4H-pyrazol-4-yl]diazenyl]benzoic acid Openeye Name: 4-[[3-methyl-5-oxo-1-(4-sulfamoylphenyl)-4H-pyrazol-4-yl]azo]benzoic acid CAS Name: 4-[[3-methyl-5-oxo-1-(4-sulfamoylphenyl)-4H-pyrazol-4-yl]azo]benzoic acid IUPAC Name: 4-[[3-methyl-5-oxo-1-(4-sulfamoylphenyl)-4H-pyrazol-4-yl]diazenyl]benzoic acid Traditional Name: 4-[[5-keto-3-methyl-1-(4-sulfamoylphenyl)-2-pyrazolin-4-yl]azo]benzoic acid Formula: C17H15N5O5S MolecularWeight: 401.3965

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1N=NC2=CC=C(C=C2)C(=O)O)C3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

CC1=NN(C(=O)C1N=NC2=CC=C(C=C2)C(=O)O)C3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C17H15N5O5S/c1-10-15(20-19-12-4-2-11(3-5-12)17(24)25)16(23)22(21-10)13-6-8-14(9-7-13)28(18,26)27/h2-9,15H,1H3,(H,24,25)(H2,18,26,27)