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

Systemtic Name: 3-[2-(4-carbamimidoylphenoxy)-5-(methylsulfonylamino)phenyl]benzoic acid Openeye Name: 3-[2-(4-carbamimidoylphenoxy)-5-(methanesulfonamido)phenyl]benzoic acid CAS Name: 3-[2-(4-carbamimidoylphenoxy)-5-(methanesulfonamido)phenyl]benzoic acid IUPAC Name: 3-[2-(4-carbamimidoylphenoxy)-5-(methanesulfonamido)phenyl]benzoic acid Traditional Name: 3-[2-(4-amidinophenoxy)-5-(methanesulfonamido)phenyl]benzoic acid Formula: C21H19N3O5S MolecularWeight: 425.45766

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=CC(=C(C=C1)OC2=CC=C(C=C2)C(=N)N)C3=CC(=CC=C3)C(=O)O

Isomeric SMILES

CS(=O)(=O)NC1=CC(=C(C=C1)OC2=CC=C(C=C2)C(=N)N)C3=CC(=CC=C3)C(=O)O

InChI

InChI=1S/C21H19N3O5S/c1-30(27,28)24-16-7-10-19(29-17-8-5-13(6-9-17)20(22)23)18(12-16)14-3-2-4-15(11-14)21(25)26/h2-12,24H,1H3,(H3,22,23)(H,25,26)