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

Systemtic Name: 3-[4-[[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]sulfamoyl]phenyl]propanoic acid Openeye Name: 3-[4-[[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]sulfamoyl]phenyl]propanoic acid CAS Name: 3-[4-[[2-[(1,3-benzodioxol-5-ylamino)-oxomethyl]phenyl]sulfamoyl]phenyl]propanoic acid IUPAC Name: 3-[4-[[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]sulfamoyl]phenyl]propanoic acid Traditional Name: 3-[4-[[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]sulfamoyl]phenyl]propionic acid Formula: C23H20N2O7S MolecularWeight: 468.4791

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)CCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C23H20N2O7S/c26-22(27)12-7-15-5-9-17(10-6-15)33(29,30)25-19-4-2-1-3-18(19)23(28)24-16-8-11-20-21(13-16)32-14-31-20/h1-6,8-11,13,25H,7,12,14H2,(H,24,28)(H,26,27)