3-[(3-carboxyphenyl)sulfonyl-phenylmethoxy-sulfamoyl]benzoic acid

Systemtic Name: 3-[(3-carboxyphenyl)sulfonyl-phenylmethoxy-sulfamoyl]benzoic acid Openeye Name: 3-[benzyloxy-(3-carboxyphenyl)sulfonyl-sulfamoyl]benzoic acid CAS Name: 3-[(3-carboxyphenyl)sulfonyl-phenylmethoxysulfamoyl]benzoic acid IUPAC Name: 3-[(3-carboxyphenyl)sulfonyl-phenylmethoxysulfamoyl]benzoic acid Traditional Name: 3-[benzoxy-(3-carboxyphenyl)sulfonyl-sulfamoyl]benzoic acid Formula: C21H17NO9S2 MolecularWeight: 491.49098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CON(S(=O)(=O)C2=CC=CC(=C2)C(=O)O)S(=O)(=O)C3=CC=CC(=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CON(S(=O)(=O)C2=CC=CC(=C2)C(=O)O)S(=O)(=O)C3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C21H17NO9S2/c23-20(24)16-8-4-10-18(12-16)32(27,28)22(31-14-15-6-2-1-3-7-15)33(29,30)19-11-5-9-17(13-19)21(25)26/h1-13H,14H2,(H,23,24)(H,25,26)