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

Systemtic Name: 3-[2-(4-carbamimidoylphenoxy)-5-(phenylsulfonylamino)phenyl]benzoic acid Openeye Name: 3-[5-(benzenesulfonamido)-2-(4-carbamimidoylphenoxy)phenyl]benzoic acid CAS Name: 3-[5-(benzenesulfonamido)-2-(4-carbamimidoylphenoxy)phenyl]benzoic acid IUPAC Name: 3-[5-(benzenesulfonamido)-2-(4-carbamimidoylphenoxy)phenyl]benzoic acid Traditional Name: 3-[2-(4-amidinophenoxy)-5-(benzenesulfonamido)phenyl]benzoic acid Formula: C26H21N3O5S MolecularWeight: 487.52704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C=C2)OC3=CC=C(C=C3)C(=N)N)C4=CC(=CC=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C=C2)OC3=CC=C(C=C3)C(=N)N)C4=CC(=CC=C4)C(=O)O

InChI

InChI=1S/C26H21N3O5S/c27-25(28)17-9-12-21(13-10-17)34-24-14-11-20(29-35(32,33)22-7-2-1-3-8-22)16-23(24)18-5-4-6-19(15-18)26(30)31/h1-16,29H,(H3,27,28)(H,30,31)