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

Systemtic Name: (E)-3-[3-(1,3-benzodioxol-5-ylmethylsulfamoyl)-4,5-dimethoxy-phenyl]prop-2-enoic acid Openeye Name: (E)-3-[3-(1,3-benzodioxol-5-ylmethylsulfamoyl)-4,5-dimethoxy-phenyl]prop-2-enoic acid CAS Name: (E)-3-[3-(1,3-benzodioxol-5-ylmethylsulfamoyl)-4,5-dimethoxyphenyl]-2-propenoic acid IUPAC Name: (E)-3-[3-(1,3-benzodioxol-5-ylmethylsulfamoyl)-4,5-dimethoxyphenyl]prop-2-enoic acid Traditional Name: (E)-3-[3,4-dimethoxy-5-(piperonylsulfamoyl)phenyl]acrylic acid Formula: C19H19NO8S MolecularWeight: 421.42106

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=CC(=O)O)S(=O)(=O)NCC2=CC3=C(C=C2)OCO3)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C/C(=O)O)S(=O)(=O)NCC2=CC3=C(C=C2)OCO3)OC

InChI

InChI=1S/C19H19NO8S/c1-25-16-7-12(4-6-18(21)22)9-17(19(16)26-2)29(23,24)20-10-13-3-5-14-15(8-13)28-11-27-14/h3-9,20H,10-11H2,1-2H3,(H,21,22)/b6-4+