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

Systemtic Name: (4Z)-4-(5-carbamimidoyl-1,3-dihydrobenzimidazol-2-ylidene)-3-oxidanylidene-2-(3-sulfamoylphenyl)cyclohexa-1,5-diene-1-carboxylic acid Openeye Name: (4Z)-4-(5-carbamimidoyl-1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-2-(3-sulfamoylphenyl)cyclohexa-1,5-diene-1-carboxylic acid CAS Name: (4Z)-4-(5-carbamimidoyl-1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-2-(3-sulfamoylphenyl)-1-cyclohexa-1,5-dienecarboxylic acid IUPAC Name: (4Z)-4-(5-carbamimidoyl-1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-2-(3-sulfamoylphenyl)cyclohexa-1,5-diene-1-carboxylic acid Traditional Name: (4Z)-4-(5-amidino-1,3-dihydrobenzimidazol-2-ylidene)-3-keto-2-(3-sulfamoylphenyl)cyclohexa-1,5-diene-1-carboxylic acid Formula: C21H17N5O5S MolecularWeight: 451.45518

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)N)C2=C(C=CC(=C3NC4=C(N3)C=C(C=C4)C(=N)N)C2=O)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)N)C2=C(C=C/C(=C/3\NC4=C(N3)C=C(C=C4)C(=N)N)/C2=O)C(=O)O

InChI

InChI=1S/C21H17N5O5S/c22-19(23)11-4-7-15-16(9-11)26-20(25-15)14-6-5-13(21(28)29)17(18(14)27)10-2-1-3-12(8-10)32(24,30)31/h1-9,25-26H,(H3,22,23)(H,28,29)(H2,24,30,31)/b20-14-