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

Systemtic Name: (E)-3-[3-(1,3-benzodioxol-5-ylmethylsulfamoyl)phenyl]prop-2-enoic acid Openeye Name: (E)-3-[3-(1,3-benzodioxol-5-ylmethylsulfamoyl)phenyl]prop-2-enoic acid CAS Name: (E)-3-[3-(1,3-benzodioxol-5-ylmethylsulfamoyl)phenyl]-2-propenoic acid IUPAC Name: (E)-3-[3-(1,3-benzodioxol-5-ylmethylsulfamoyl)phenyl]prop-2-enoic acid Traditional Name: (E)-3-[3-(piperonylsulfamoyl)phenyl]acrylic acid Formula: C17H15NO6S MolecularWeight: 361.3691

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNS(=O)(=O)C3=CC=CC(=C3)C=CC(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNS(=O)(=O)C3=CC=CC(=C3)/C=C/C(=O)O

InChI

InChI=1S/C17H15NO6S/c19-17(20)7-5-12-2-1-3-14(8-12)25(21,22)18-10-13-4-6-15-16(9-13)24-11-23-15/h1-9,18H,10-11H2,(H,19,20)/b7-5+