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

Systemtic Name: 2-[2-(4-carbamimidoylphenoxy)-5-[(4-methoxyphenyl)sulfonylamino]phenyl]benzoic acid Openeye Name: 2-[2-(4-carbamimidoylphenoxy)-5-[(4-methoxyphenyl)sulfonylamino]phenyl]benzoic acid CAS Name: 2-[2-(4-carbamimidoylphenoxy)-5-[(4-methoxyphenyl)sulfonylamino]phenyl]benzoic acid IUPAC Name: 2-[2-(4-carbamimidoylphenoxy)-5-[(4-methoxyphenyl)sulfonylamino]phenyl]benzoic acid Traditional Name: 2-[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=C4C(=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=C4C(=O)O

InChI

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