5-[3-carboxy-4-[(4-methoxyphenyl)sulfonylamino]phenoxy]-2-(phenylsulfonylamino)benzoic acid

Systemtic Name: 5-[3-carboxy-4-[(4-methoxyphenyl)sulfonylamino]phenoxy]-2-(phenylsulfonylamino)benzoic acid Openeye Name: 2-(benzenesulfonamido)-5-[3-carboxy-4-[(4-methoxyphenyl)sulfonylamino]phenoxy]benzoic acid CAS Name: 2-(benzenesulfonamido)-5-[3-carboxy-4-[(4-methoxyphenyl)sulfonylamino]phenoxy]benzoic acid IUPAC Name: 2-(benzenesulfonamido)-5-[3-carboxy-4-[(4-methoxyphenyl)sulfonylamino]phenoxy]benzoic acid Traditional Name: 2-(benzenesulfonamido)-5-[3-carboxy-4-[(4-methoxyphenyl)sulfonylamino]phenoxy]benzoic acid Formula: C27H22N2O10S2 MolecularWeight: 598.60098

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2)OC3=CC(=C(C=C3)NS(=O)(=O)C4=CC=CC=C4)C(=O)O)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2)OC3=CC(=C(C=C3)NS(=O)(=O)C4=CC=CC=C4)C(=O)O)C(=O)O

InChI

InChI=1S/C27H22N2O10S2/c1-38-17-7-11-21(12-8-17)41(36,37)29-25-14-10-19(16-23(25)27(32)33)39-18-9-13-24(22(15-18)26(30)31)28-40(34,35)20-5-3-2-4-6-20/h2-16,28-29H,1H3,(H,30,31)(H,32,33)