4-(3-carbamimidoylphenoxy)-3-[[4-(2-sulfamoylphenyl)phenyl]carbonylamino]benzoic acid

Systemtic Name: 4-(3-carbamimidoylphenoxy)-3-[[4-(2-sulfamoylphenyl)phenyl]carbonylamino]benzoic acid Openeye Name: 4-(3-carbamimidoylphenoxy)-3-[[4-(2-sulfamoylphenyl)benzoyl]amino]benzoic acid CAS Name: 4-(3-carbamimidoylphenoxy)-3-[[oxo-[4-(2-sulfamoylphenyl)phenyl]methyl]amino]benzoic acid IUPAC Name: 4-(3-carbamimidoylphenoxy)-3-[[4-(2-sulfamoylphenyl)benzoyl]amino]benzoic acid Traditional Name: 4-(3-amidinophenoxy)-3-[[4-(2-sulfamoylphenyl)benzoyl]amino]benzoic acid Formula: C27H22N4O6S MolecularWeight: 530.55178

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=CC=C(C=C2)C(=O)NC3=C(C=CC(=C3)C(=O)O)OC4=CC=CC(=C4)C(=N)N)S(=O)(=O)N

Isomeric SMILES

C1=CC=C(C(=C1)C2=CC=C(C=C2)C(=O)NC3=C(C=CC(=C3)C(=O)O)OC4=CC=CC(=C4)C(=N)N)S(=O)(=O)N

InChI

InChI=1S/C27H22N4O6S/c28-25(29)18-4-3-5-20(14-18)37-23-13-12-19(27(33)34)15-22(23)31-26(32)17-10-8-16(9-11-17)21-6-1-2-7-24(21)38(30,35)36/h1-15H,(H3,28,29)(H,31,32)(H,33,34)(H2,30,35,36)