3-[[4-[4-[(3-carboxyphenyl)sulfamoyl]phenyl]sulfanylphenyl]sulfonylamino]benzoic acid

Systemtic Name: 3-[[4-[4-[(3-carboxyphenyl)sulfamoyl]phenyl]sulfanylphenyl]sulfonylamino]benzoic acid Openeye Name: 3-[[4-[4-[(3-carboxyphenyl)sulfamoyl]phenyl]sulfanylphenyl]sulfonylamino]benzoic acid CAS Name: 3-[[4-[[4-[(3-carboxyphenyl)sulfamoyl]phenyl]thio]phenyl]sulfonylamino]benzoic acid IUPAC Name: 3-[[4-[4-[(3-carboxyphenyl)sulfamoyl]phenyl]sulfanylphenyl]sulfonylamino]benzoic acid Traditional Name: 3-[[4-[[4-[(3-carboxyphenyl)sulfamoyl]phenyl]thio]phenyl]sulfonylamino]benzoic acid Formula: C26H20N2O8S3 MolecularWeight: 584.6406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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