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

Systemtic Name: (E)-3-[3-(1,3-benzodioxol-5-ylmethylsulfamoyl)-4-methoxy-phenyl]prop-2-enoic acid Openeye Name: (E)-3-[3-(1,3-benzodioxol-5-ylmethylsulfamoyl)-4-methoxy-phenyl]prop-2-enoic acid CAS Name: (E)-3-[3-(1,3-benzodioxol-5-ylmethylsulfamoyl)-4-methoxyphenyl]-2-propenoic acid IUPAC Name: (E)-3-[3-(1,3-benzodioxol-5-ylmethylsulfamoyl)-4-methoxyphenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-methoxy-3-(piperonylsulfamoyl)phenyl]acrylic acid Formula: C18H17NO7S MolecularWeight: 391.39508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17NO7S/c1-24-15-6-2-12(4-7-18(20)21)9-17(15)27(22,23)19-10-13-3-5-14-16(8-13)26-11-25-14/h2-9,19H,10-11H2,1H3,(H,20,21)/b7-4+