3-[[5-[(3-carboxyphenyl)sulfamoyl]-2,4-dimethyl-phenyl]sulfonylamino]benzoic acid

Systemtic Name: 3-[[5-[(3-carboxyphenyl)sulfamoyl]-2,4-dimethyl-phenyl]sulfonylamino]benzoic acid Openeye Name: 3-[[5-[(3-carboxyphenyl)sulfamoyl]-2,4-dimethyl-phenyl]sulfonylamino]benzoic acid CAS Name: 3-[[5-[(3-carboxyphenyl)sulfamoyl]-2,4-dimethylphenyl]sulfonylamino]benzoic acid IUPAC Name: 3-[[5-[(3-carboxyphenyl)sulfamoyl]-2,4-dimethylphenyl]sulfonylamino]benzoic acid Traditional Name: 3-[[5-[(3-carboxyphenyl)sulfamoyl]-2,4-dimethyl-phenyl]sulfonylamino]benzoic acid Formula: C22H20N2O8S2 MolecularWeight: 504.5328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1S(=O)(=O)NC2=CC=CC(=C2)C(=O)O)S(=O)(=O)NC3=CC=CC(=C3)C(=O)O)C

Isomeric SMILES

CC1=CC(=C(C=C1S(=O)(=O)NC2=CC=CC(=C2)C(=O)O)S(=O)(=O)NC3=CC=CC(=C3)C(=O)O)C

InChI

InChI=1S/C22H20N2O8S2/c1-13-9-14(2)20(34(31,32)24-18-8-4-6-16(11-18)22(27)28)12-19(13)33(29,30)23-17-7-3-5-15(10-17)21(25)26/h3-12,23-24H,1-2H3,(H,25,26)(H,27,28)