4-[(4Z)-3-methyl-5-oxidanylidene-4-[[1-(4-sulfamoylphenyl)pyrrol-2-yl]methylidene]pyrazol-1-yl]benzoic acid

Systemtic Name: 4-[(4Z)-3-methyl-5-oxidanylidene-4-[[1-(4-sulfamoylphenyl)pyrrol-2-yl]methylidene]pyrazol-1-yl]benzoic acid Openeye Name: 4-[(4Z)-3-methyl-5-oxo-4-[[1-(4-sulfamoylphenyl)pyrrol-2-yl]methylene]pyrazol-1-yl]benzoic acid CAS Name: 4-[(4Z)-3-methyl-5-oxo-4-[[1-(4-sulfamoylphenyl)-2-pyrrolyl]methylidene]-1-pyrazolyl]benzoic acid IUPAC Name: 4-[(4Z)-3-methyl-5-oxo-4-[[1-(4-sulfamoylphenyl)pyrrol-2-yl]methylidene]pyrazol-1-yl]benzoic acid Traditional Name: 4-[(4Z)-5-keto-3-methyl-4-[[1-(4-sulfamoylphenyl)pyrrol-2-yl]methylene]-2-pyrazolin-1-yl]benzoic acid Formula: C22H18N4O5S MolecularWeight: 450.46712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CC=CN2C3=CC=C(C=C3)S(=O)(=O)N)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CC\1=NN(C(=O)/C1=C\C2=CC=CN2C3=CC=C(C=C3)S(=O)(=O)N)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C22H18N4O5S/c1-14-20(21(27)26(24-14)17-6-4-15(5-7-17)22(28)29)13-18-3-2-12-25(18)16-8-10-19(11-9-16)32(23,30)31/h2-13H,1H3,(H,28,29)(H2,23,30,31)/b20-13-