2-[4-(4-carbamimidoylphenyl)phenoxy]-5-(methylsulfonylamino)benzoic acid

Systemtic Name: 2-[4-(4-carbamimidoylphenyl)phenoxy]-5-(methylsulfonylamino)benzoic acid Openeye Name: 2-[4-(4-carbamimidoylphenyl)phenoxy]-5-(methanesulfonamido)benzoic acid CAS Name: 2-[4-(4-carbamimidoylphenyl)phenoxy]-5-(methanesulfonamido)benzoic acid IUPAC Name: 2-[4-(4-carbamimidoylphenyl)phenoxy]-5-(methanesulfonamido)benzoic acid Traditional Name: 2-[4-(4-amidinophenyl)phenoxy]-5-(methanesulfonamido)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)C3=CC=C(C=C3)C(=N)N)C(=O)O

Isomeric SMILES

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

InChI

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