3-[3-[(1,3-benzodioxol-5-ylcarbonylamino)sulfamoyl]-4,5-dimethoxy-phenyl]prop-2-enoic acid

Systemtic Name: 3-[3-[(1,3-benzodioxol-5-ylcarbonylamino)sulfamoyl]-4,5-dimethoxy-phenyl]prop-2-enoic acid Openeye Name: 3-[3-[(1,3-benzodioxole-5-carbonylamino)sulfamoyl]-4,5-dimethoxy-phenyl]prop-2-enoic acid CAS Name: 3-[3-[[[1,3-benzodioxol-5-yl(oxo)methyl]amino]sulfamoyl]-4,5-dimethoxyphenyl]-2-propenoic acid IUPAC Name: 3-[3-[(1,3-benzodioxole-5-carbonylamino)sulfamoyl]-4,5-dimethoxyphenyl]prop-2-enoic acid Traditional Name: 3-[3,4-dimethoxy-5-[(piperonyloylamino)sulfamoyl]phenyl]acrylic acid Formula: C19H18N2O9S MolecularWeight: 450.41922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=CC(=O)O)S(=O)(=O)NNC(=O)C2=CC3=C(C=C2)OCO3)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)C=CC(=O)O)S(=O)(=O)NNC(=O)C2=CC3=C(C=C2)OCO3)OC

InChI

InChI=1S/C19H18N2O9S/c1-27-15-7-11(3-6-17(22)23)8-16(18(15)28-2)31(25,26)21-20-19(24)12-4-5-13-14(9-12)30-10-29-13/h3-9,21H,10H2,1-2H3,(H,20,24)(H,22,23)