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

Systemtic Name: 3-[[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]sulfamoyl]-4-methoxy-benzoic acid Openeye Name: 3-[[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]sulfamoyl]-4-methoxy-benzoic acid CAS Name: 3-[[2-[(1,3-benzodioxol-5-ylmethylamino)-oxomethyl]phenyl]sulfamoyl]-4-methoxybenzoic acid IUPAC Name: 3-[[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]sulfamoyl]-4-methoxybenzoic acid Traditional Name: 4-methoxy-3-[[2-(piperonylcarbamoyl)phenyl]sulfamoyl]benzoic acid Formula: C23H20N2O8S MolecularWeight: 484.4785

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)NC2=CC=CC=C2C(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)NC2=CC=CC=C2C(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H20N2O8S/c1-31-19-9-7-15(23(27)28)11-21(19)34(29,30)25-17-5-3-2-4-16(17)22(26)24-12-14-6-8-18-20(10-14)33-13-32-18/h2-11,25H,12-13H2,1H3,(H,24,26)(H,27,28)