3-[[1-(3-oxidanyl-3-oxidanylidene-1-phenyl-propyl)benzimidazol-5-yl]sulfamoyl]benzoic acid

Systemtic Name: 3-[[1-(3-oxidanyl-3-oxidanylidene-1-phenyl-propyl)benzimidazol-5-yl]sulfamoyl]benzoic acid Openeye Name: 3-[[1-(3-hydroxy-3-oxo-1-phenyl-propyl)benzimidazol-5-yl]sulfamoyl]benzoic acid CAS Name: 3-[[1-(3-hydroxy-3-oxo-1-phenylpropyl)-5-benzimidazolyl]sulfamoyl]benzoic acid IUPAC Name: 3-[[1-(3-hydroxy-3-oxo-1-phenylpropyl)benzimidazol-5-yl]sulfamoyl]benzoic acid Traditional Name: 3-[[1-(3-hydroxy-3-keto-1-phenyl-propyl)benzimidazol-5-yl]sulfamoyl]benzoic acid Formula: C23H19N3O6S MolecularWeight: 465.47846

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(=O)O)N2C=NC3=C2C=CC(=C3)NS(=O)(=O)C4=CC=CC(=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(CC(=O)O)N2C=NC3=C2C=CC(=C3)NS(=O)(=O)C4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C23H19N3O6S/c27-22(28)13-21(15-5-2-1-3-6-15)26-14-24-19-12-17(9-10-20(19)26)25-33(31,32)18-8-4-7-16(11-18)23(29)30/h1-12,14,21,25H,13H2,(H,27,28)(H,29,30)