2-[(3Z)-3-(5-carbamimidoyl-1,3-dihydrobenzimidazol-2-ylidene)-4-oxidanylidene-5-(3-sulfamoylphenyl)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-(3-sulfamoylphenyl)cyclohexa-1,5-dien-1-yl]-2-methyl-propanoic acid Openeye Name: 2-[(3Z)-3-(5-carbamimidoyl-1,3-dihydrobenzimidazol-2-ylidene)-4-oxo-5-(3-sulfamoylphenyl)cyclohexa-1,5-dien-1-yl]-2-methyl-propanoic acid CAS Name: 2-[(3Z)-3-(5-carbamimidoyl-1,3-dihydrobenzimidazol-2-ylidene)-4-oxo-5-(3-sulfamoylphenyl)-1-cyclohexa-1,5-dienyl]-2-methylpropanoic acid IUPAC Name: 2-[(3Z)-3-(5-carbamimidoyl-1,3-dihydrobenzimidazol-2-ylidene)-4-oxo-5-(3-sulfamoylphenyl)cyclohexa-1,5-dien-1-yl]-2-methylpropanoic acid Traditional Name: 2-[(3Z)-3-(5-amidino-1,3-dihydrobenzimidazol-2-ylidene)-4-keto-5-(3-sulfamoylphenyl)cyclohexa-1,5-dien-1-yl]-2-methyl-propionic acid Formula: C24H23N5O5S MolecularWeight: 493.53492

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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=CC(=CC=C4)S(=O)(=O)N)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=CC(=CC=C4)S(=O)(=O)N)C(=O)O

InChI

InChI=1S/C24H23N5O5S/c1-24(2,23(31)32)14-10-16(12-4-3-5-15(8-12)35(27,33)34)20(30)17(11-14)22-28-18-7-6-13(21(25)26)9-19(18)29-22/h3-11,28-29H,1-2H3,(H3,25,26)(H,31,32)(H2,27,33,34)/b22-17-