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

Systemtic Name: 3-[(4Z)-3-methyl-5-oxidanylidene-4-[[5-(4-sulfamoylphenyl)furan-2-yl]methylidene]pyrazol-1-yl]benzoic acid Openeye Name: 3-[(4Z)-3-methyl-5-oxo-4-[[5-(4-sulfamoylphenyl)-2-furyl]methylene]pyrazol-1-yl]benzoic acid CAS Name: 3-[(4Z)-3-methyl-5-oxo-4-[[5-(4-sulfamoylphenyl)-2-furanyl]methylidene]-1-pyrazolyl]benzoic acid IUPAC Name: 3-[(4Z)-3-methyl-5-oxo-4-[[5-(4-sulfamoylphenyl)furan-2-yl]methylidene]pyrazol-1-yl]benzoic acid Traditional Name: 3-[(4Z)-5-keto-3-methyl-4-[[5-(4-sulfamoylphenyl)-2-furyl]methylene]-2-pyrazolin-1-yl]benzoic acid Formula: C22H17N3O6S MolecularWeight: 451.45188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CC=C(O2)C3=CC=C(C=C3)S(=O)(=O)N)C4=CC=CC(=C4)C(=O)O

Isomeric SMILES

CC\1=NN(C(=O)/C1=C\C2=CC=C(O2)C3=CC=C(C=C3)S(=O)(=O)N)C4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C22H17N3O6S/c1-13-19(21(26)25(24-13)16-4-2-3-15(11-16)22(27)28)12-17-7-10-20(31-17)14-5-8-18(9-6-14)32(23,29)30/h2-12H,1H3,(H,27,28)(H2,23,29,30)/b19-12-