2-[[3-[[2-(1H-benzimidazol-2-ylmethyl)-3-methyl-benzimidazol-5-yl]carbonylamino]-4-oxidanyl-4-oxidanylidene-butanoyl]sulfamoyl]benzoic acid

Systemtic Name: 2-[[3-[[2-(1H-benzimidazol-2-ylmethyl)-3-methyl-benzimidazol-5-yl]carbonylamino]-4-oxidanyl-4-oxidanylidene-butanoyl]sulfamoyl]benzoic acid Openeye Name: 2-[[3-[[2-(1H-benzimidazol-2-ylmethyl)-3-methyl-benzimidazole-5-carbonyl]amino]-4-hydroxy-4-oxo-butanoyl]sulfamoyl]benzoic acid CAS Name: 2-[[3-[[[2-(1H-benzimidazol-2-ylmethyl)-3-methyl-5-benzimidazolyl]-oxomethyl]amino]-4-hydroxy-1,4-dioxobutyl]sulfamoyl]benzoic acid IUPAC Name: 2-[[3-[[2-(1H-benzimidazol-2-ylmethyl)-3-methylbenzimidazole-5-carbonyl]amino]-4-hydroxy-4-oxobutanoyl]sulfamoyl]benzoic acid Traditional Name: 2-[[3-[[2-(1H-benzimidazol-2-ylmethyl)-3-methyl-benzimidazole-5-carbonyl]amino]-4-hydroxy-4-keto-butanoyl]sulfamoyl]benzoic acid Formula: C28H24N6O8S MolecularWeight: 604.59056

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=CC(=C2)C(=O)NC(CC(=O)NS(=O)(=O)C3=CC=CC=C3C(=O)O)C(=O)O)N=C1CC4=NC5=CC=CC=C5N4

Isomeric SMILES

CN1C2=C(C=CC(=C2)C(=O)NC(CC(=O)NS(=O)(=O)C3=CC=CC=C3C(=O)O)C(=O)O)N=C1CC4=NC5=CC=CC=C5N4

InChI

InChI=1S/C28H24N6O8S/c1-34-21-12-15(10-11-19(21)31-24(34)14-23-29-17-7-3-4-8-18(17)30-23)26(36)32-20(28(39)40)13-25(35)33-43(41,42)22-9-5-2-6-16(22)27(37)38/h2-12,20H,13-14H2,1H3,(H,29,30)(H,32,36)(H,33,35)(H,37,38)(H,39,40)