(3Z)-3-(5-carbamimidoyl-1,3-dihydrobenzimidazol-2-ylidene)-4-oxidanylidene-5-(2-oxidanyl-5-sulfamoyl-phenyl)cyclohexa-1,5-diene-1-carboxylic acid

Systemtic Name: (3Z)-3-(5-carbamimidoyl-1,3-dihydrobenzimidazol-2-ylidene)-4-oxidanylidene-5-(2-oxidanyl-5-sulfamoyl-phenyl)cyclohexa-1,5-diene-1-carboxylic acid Openeye Name: (3Z)-3-(5-carbamimidoyl-1,3-dihydrobenzimidazol-2-ylidene)-5-(2-hydroxy-5-sulfamoyl-phenyl)-4-oxo-cyclohexa-1,5-diene-1-carboxylic acid CAS Name: (3Z)-3-(5-carbamimidoyl-1,3-dihydrobenzimidazol-2-ylidene)-5-(2-hydroxy-5-sulfamoylphenyl)-4-oxo-1-cyclohexa-1,5-dienecarboxylic acid IUPAC Name: (3Z)-3-(5-carbamimidoyl-1,3-dihydrobenzimidazol-2-ylidene)-5-(2-hydroxy-5-sulfamoylphenyl)-4-oxocyclohexa-1,5-diene-1-carboxylic acid Traditional Name: (3Z)-3-(5-amidino-1,3-dihydrobenzimidazol-2-ylidene)-5-(2-hydroxy-5-sulfamoyl-phenyl)-4-keto-cyclohexa-1,5-diene-1-carboxylic acid Formula: C21H17N5O6S MolecularWeight: 467.45458

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(=N)N)NC(=C3C=C(C=C(C3=O)C4=C(C=CC(=C4)S(=O)(=O)N)O)C(=O)O)N2

Isomeric SMILES

C1=CC2=C(C=C1C(=N)N)N/C(=C\3/C=C(C=C(C3=O)C4=C(C=CC(=C4)S(=O)(=O)N)O)C(=O)O)/N2

InChI

InChI=1S/C21H17N5O6S/c22-19(23)9-1-3-15-16(7-9)26-20(25-15)14-6-10(21(29)30)5-13(18(14)28)12-8-11(33(24,31)32)2-4-17(12)27/h1-8,25-27H,(H3,22,23)(H,29,30)(H2,24,31,32)/b20-14-