4-[[4-[4-[(4-carboxyphenyl)sulfamoyl]phenyl]sulfanylphenyl]sulfonylamino]benzoic acid

Systemtic Name: 4-[[4-[4-[(4-carboxyphenyl)sulfamoyl]phenyl]sulfanylphenyl]sulfonylamino]benzoic acid Openeye Name: 4-[[4-[4-[(4-carboxyphenyl)sulfamoyl]phenyl]sulfanylphenyl]sulfonylamino]benzoic acid CAS Name: 4-[[4-[[4-[(4-carboxyphenyl)sulfamoyl]phenyl]thio]phenyl]sulfonylamino]benzoic acid IUPAC Name: 4-[[4-[4-[(4-carboxyphenyl)sulfamoyl]phenyl]sulfanylphenyl]sulfonylamino]benzoic acid Traditional Name: 4-[[4-[[4-[(4-carboxyphenyl)sulfamoyl]phenyl]thio]phenyl]sulfonylamino]benzoic acid Formula: C26H20N2O8S3 MolecularWeight: 584.6406

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)NS(=O)(=O)C2=CC=C(C=C2)SC3=CC=C(C=C3)S(=O)(=O)NC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)NS(=O)(=O)C2=CC=C(C=C2)SC3=CC=C(C=C3)S(=O)(=O)NC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C26H20N2O8S3/c29-25(30)17-1-5-19(6-2-17)27-38(33,34)23-13-9-21(10-14-23)37-22-11-15-24(16-12-22)39(35,36)28-20-7-3-18(4-8-20)26(31)32/h1-16,27-28H,(H,29,30)(H,31,32)