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

Systemtic Name: 3-[2-(4-carbamimidoylphenoxy)-5-[(4-methoxyphenyl)sulfonylamino]phenyl]benzoic acid Openeye Name: 3-[2-(4-carbamimidoylphenoxy)-5-[(4-methoxyphenyl)sulfonylamino]phenyl]benzoic acid CAS Name: 3-[2-(4-carbamimidoylphenoxy)-5-[(4-methoxyphenyl)sulfonylamino]phenyl]benzoic acid IUPAC Name: 3-[2-(4-carbamimidoylphenoxy)-5-[(4-methoxyphenyl)sulfonylamino]phenyl]benzoic acid Traditional Name: 3-[2-(4-amidinophenoxy)-5-[(4-methoxyphenyl)sulfonylamino]phenyl]benzoic acid Formula: C27H23N3O6S MolecularWeight: 517.55302

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Descriptors Computed from Structure

Canonical SMILES:

COC1=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

COC1=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/C27H23N3O6S/c1-35-21-10-12-23(13-11-21)37(33,34)30-20-7-14-25(36-22-8-5-17(6-9-22)26(28)29)24(16-20)18-3-2-4-19(15-18)27(31)32/h2-16,30H,1H3,(H3,28,29)(H,31,32)