5-cyano-2-[[6-(phenylsulfamoyl)-1,2-benzoxazol-3-yl]carbonylamino]benzoic acid

Systemtic Name: 5-cyano-2-[[6-(phenylsulfamoyl)-1,2-benzoxazol-3-yl]carbonylamino]benzoic acid Openeye Name: 5-cyano-2-[[6-(phenylsulfamoyl)-1,2-benzoxazole-3-carbonyl]amino]benzoic acid CAS Name: 5-cyano-2-[[oxo-[6-(phenylsulfamoyl)-1,2-benzoxazol-3-yl]methyl]amino]benzoic acid IUPAC Name: 5-cyano-2-[[6-(phenylsulfamoyl)-1,2-benzoxazole-3-carbonyl]amino]benzoic acid Traditional Name: 5-cyano-2-[[6-(phenylsulfamoyl)indoxazene-3-carbonyl]amino]benzoic acid Formula: C22H14N4O6S MolecularWeight: 462.43476

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)C(=NO3)C(=O)NC4=C(C=C(C=C4)C#N)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)C(=NO3)C(=O)NC4=C(C=C(C=C4)C#N)C(=O)O

InChI

InChI=1S/C22H14N4O6S/c23-12-13-6-9-18(17(10-13)22(28)29)24-21(27)20-16-8-7-15(11-19(16)32-25-20)33(30,31)26-14-4-2-1-3-5-14/h1-11,26H,(H,24,27)(H,28,29)