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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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