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

Systemtic Name: (E)-3-[3-(1,3-benzodioxol-5-ylmethylsulfamoyl)-4-methyl-phenyl]prop-2-enoic acid Openeye Name: (E)-3-[3-(1,3-benzodioxol-5-ylmethylsulfamoyl)-4-methyl-phenyl]prop-2-enoic acid CAS Name: (E)-3-[3-(1,3-benzodioxol-5-ylmethylsulfamoyl)-4-methylphenyl]-2-propenoic acid IUPAC Name: (E)-3-[3-(1,3-benzodioxol-5-ylmethylsulfamoyl)-4-methylphenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-methyl-3-(piperonylsulfamoyl)phenyl]acrylic acid Formula: C18H17NO6S MolecularWeight: 375.39568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C=CC(=O)O)S(=O)(=O)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=C(C=C(C=C1)/C=C/C(=O)O)S(=O)(=O)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H17NO6S/c1-12-2-3-13(5-7-18(20)21)9-17(12)26(22,23)19-10-14-4-6-15-16(8-14)25-11-24-15/h2-9,19H,10-11H2,1H3,(H,20,21)/b7-5+