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

Systemtic Name: 4-[[3-oxidanylidene-3-[5-oxidanylidene-3-phenyl-4-[(4-sulfamoylphenyl)diazenyl]-4H-pyrazol-1-yl]propanoyl]amino]benzoic acid Openeye Name: 4-[[3-oxo-3-[5-oxo-3-phenyl-4-(4-sulfamoylphenyl)azo-4H-pyrazol-1-yl]propanoyl]amino]benzoic acid CAS Name: 4-[[1,3-dioxo-3-[5-oxo-3-phenyl-4-(4-sulfamoylphenyl)azo-4H-pyrazol-1-yl]propyl]amino]benzoic acid IUPAC Name: 4-[[3-oxo-3-[5-oxo-3-phenyl-4-[(4-sulfamoylphenyl)diazenyl]-4H-pyrazol-1-yl]propanoyl]amino]benzoic acid Traditional Name: 4-[[3-keto-3-[5-keto-3-phenyl-4-(4-sulfamoylphenyl)azo-2-pyrazolin-1-yl]propanoyl]amino]benzoic acid Formula: C25H20N6O7S MolecularWeight: 548.5273

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C(=O)C2N=NC3=CC=C(C=C3)S(=O)(=O)N)C(=O)CC(=O)NC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C(=O)C2N=NC3=CC=C(C=C3)S(=O)(=O)N)C(=O)CC(=O)NC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C25H20N6O7S/c26-39(37,38)19-12-10-18(11-13-19)28-29-23-22(15-4-2-1-3-5-15)30-31(24(23)34)21(33)14-20(32)27-17-8-6-16(7-9-17)25(35)36/h1-13,23H,14H2,(H,27,32)(H,35,36)(H2,26,37,38)