3-[2-(4-carbamimidoylphenoxy)-5-[(4-phenylphenyl)sulfonylamino]phenyl]benzoic acid

Systemtic Name: 3-[2-(4-carbamimidoylphenoxy)-5-[(4-phenylphenyl)sulfonylamino]phenyl]benzoic acid Openeye Name: 3-[2-(4-carbamimidoylphenoxy)-5-[(4-phenylphenyl)sulfonylamino]phenyl]benzoic acid CAS Name: 3-[2-(4-carbamimidoylphenoxy)-5-[(4-phenylphenyl)sulfonylamino]phenyl]benzoic acid IUPAC Name: 3-[2-(4-carbamimidoylphenoxy)-5-[(4-phenylphenyl)sulfonylamino]phenyl]benzoic acid Traditional Name: 3-[2-(4-amidinophenoxy)-5-[(4-phenylphenyl)sulfonylamino]phenyl]benzoic acid Formula: C32H25N3O5S MolecularWeight: 563.623

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)NC3=CC(=C(C=C3)OC4=CC=C(C=C4)C(=N)N)C5=CC(=CC=C5)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)NC3=CC(=C(C=C3)OC4=CC=C(C=C4)C(=N)N)C5=CC(=CC=C5)C(=O)O

InChI

InChI=1S/C32H25N3O5S/c33-31(34)23-9-14-27(15-10-23)40-30-18-13-26(20-29(30)24-7-4-8-25(19-24)32(36)37)35-41(38,39)28-16-11-22(12-17-28)21-5-2-1-3-6-21/h1-20,35H,(H3,33,34)(H,36,37)