2-[(3Z)-3-(5-carbamimidoyl-1,3-dihydrobenzimidazol-2-ylidene)-4-oxidanylidene-5-(2-oxidanyl-5-sulfamoyl-phenyl)cyclohexa-1,5-dien-1-yl]-2-methyl-propanoic acid

Systemtic Name: 2-[(3Z)-3-(5-carbamimidoyl-1,3-dihydrobenzimidazol-2-ylidene)-4-oxidanylidene-5-(2-oxidanyl-5-sulfamoyl-phenyl)cyclohexa-1,5-dien-1-yl]-2-methyl-propanoic acid Openeye Name: 2-[(3Z)-3-(5-carbamimidoyl-1,3-dihydrobenzimidazol-2-ylidene)-5-(2-hydroxy-5-sulfamoyl-phenyl)-4-oxo-cyclohexa-1,5-dien-1-yl]-2-methyl-propanoic acid CAS Name: 2-[(3Z)-3-(5-carbamimidoyl-1,3-dihydrobenzimidazol-2-ylidene)-5-(2-hydroxy-5-sulfamoylphenyl)-4-oxo-1-cyclohexa-1,5-dienyl]-2-methylpropanoic acid IUPAC Name: 2-[(3Z)-3-(5-carbamimidoyl-1,3-dihydrobenzimidazol-2-ylidene)-5-(2-hydroxy-5-sulfamoylphenyl)-4-oxocyclohexa-1,5-dien-1-yl]-2-methylpropanoic acid Traditional Name: 2-[(3Z)-3-(5-amidino-1,3-dihydrobenzimidazol-2-ylidene)-5-(2-hydroxy-5-sulfamoyl-phenyl)-4-keto-cyclohexa-1,5-dien-1-yl]-2-methyl-propionic acid Formula: C24H23N5O6S MolecularWeight: 509.53432

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC(=C2NC3=C(N2)C=C(C=C3)C(=N)N)C(=O)C(=C1)C4=C(C=CC(=C4)S(=O)(=O)N)O)C(=O)O

Isomeric SMILES

CC(C)(C1=C/C(=C/2\NC3=C(N2)C=C(C=C3)C(=N)N)/C(=O)C(=C1)C4=C(C=CC(=C4)S(=O)(=O)N)O)C(=O)O

InChI

InChI=1S/C24H23N5O6S/c1-24(2,23(32)33)12-8-15(14-10-13(36(27,34)35)4-6-19(14)30)20(31)16(9-12)22-28-17-5-3-11(21(25)26)7-18(17)29-22/h3-10,28-30H,1-2H3,(H3,25,26)(H,32,33)(H2,27,34,35)/b22-16-