4-[[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]sulfamoyl]benzoic acid

Systemtic Name: 4-[[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]sulfamoyl]benzoic acid Openeye Name: 4-[[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]sulfamoyl]benzoic acid CAS Name: 4-[[2-[(1,3-benzodioxol-5-ylamino)-oxomethyl]phenyl]sulfamoyl]benzoic acid IUPAC Name: 4-[[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]sulfamoyl]benzoic acid Traditional Name: 4-[[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]sulfamoyl]benzoic acid Formula: C21H16N2O7S MolecularWeight: 440.42594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)C3=CC=CC=C3NS(=O)(=O)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)C3=CC=CC=C3NS(=O)(=O)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C21H16N2O7S/c24-20(22-14-7-10-18-19(11-14)30-12-29-18)16-3-1-2-4-17(16)23-31(27,28)15-8-5-13(6-9-15)21(25)26/h1-11,23H,12H2,(H,22,24)(H,25,26)