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

Systemtic Name: 3-[3-(1,3-benzodioxol-5-ylsulfamoyl)-4,5-dimethoxy-phenyl]prop-2-enoic acid Openeye Name: 3-[3-(1,3-benzodioxol-5-ylsulfamoyl)-4,5-dimethoxy-phenyl]prop-2-enoic acid CAS Name: 3-[3-(1,3-benzodioxol-5-ylsulfamoyl)-4,5-dimethoxyphenyl]-2-propenoic acid IUPAC Name: 3-[3-(1,3-benzodioxol-5-ylsulfamoyl)-4,5-dimethoxyphenyl]prop-2-enoic acid Traditional Name: 3-[3-(1,3-benzodioxol-5-ylsulfamoyl)-4,5-dimethoxy-phenyl]acrylic acid Formula: C18H17NO8S MolecularWeight: 407.39448

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=CC(=O)O)S(=O)(=O)NC2=CC3=C(C=C2)OCO3)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)C=CC(=O)O)S(=O)(=O)NC2=CC3=C(C=C2)OCO3)OC

InChI

InChI=1S/C18H17NO8S/c1-24-15-7-11(3-6-17(20)21)8-16(18(15)25-2)28(22,23)19-12-4-5-13-14(9-12)27-10-26-13/h3-9,19H,10H2,1-2H3,(H,20,21)