3-[[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-benzimidazol-5-yl]sulfamoyl]benzoic acid

Systemtic Name: 3-[[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-benzimidazol-5-yl]sulfamoyl]benzoic acid Openeye Name: 3-[[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-benzimidazol-5-yl]sulfamoyl]benzoic acid CAS Name: 3-[[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-5-benzimidazolyl]sulfamoyl]benzoic acid IUPAC Name: 3-[[2-[(4-carbamimidoylphenyl)methyl]-1-methylbenzimidazol-5-yl]sulfamoyl]benzoic acid Traditional Name: 3-[[2-(4-amidinobenzyl)-1-methyl-benzimidazol-5-yl]sulfamoyl]benzoic acid Formula: C23H21N5O4S MolecularWeight: 463.50894

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)NS(=O)(=O)C3=CC=CC(=C3)C(=O)O)N=C1CC4=CC=C(C=C4)C(=N)N

Isomeric SMILES

CN1C2=C(C=C(C=C2)NS(=O)(=O)C3=CC=CC(=C3)C(=O)O)N=C1CC4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C23H21N5O4S/c1-28-20-10-9-17(27-33(31,32)18-4-2-3-16(12-18)23(29)30)13-19(20)26-21(28)11-14-5-7-15(8-6-14)22(24)25/h2-10,12-13,27H,11H2,1H3,(H3,24,25)(H,29,30)