(E)-3-[3-[ethyl(pyridin-1-ium-4-ylmethyl)sulfamoyl]-4,5-dimethoxy-phenyl]prop-2-enoate

Systemtic Name: (E)-3-[3-[ethyl(pyridin-1-ium-4-ylmethyl)sulfamoyl]-4,5-dimethoxy-phenyl]prop-2-enoate Openeye Name: (E)-3-[3-[ethyl(pyridin-1-ium-4-ylmethyl)sulfamoyl]-4,5-dimethoxy-phenyl]prop-2-enoate CAS Name: (E)-3-[3-[ethyl(4-pyridin-1-iumylmethyl)sulfamoyl]-4,5-dimethoxyphenyl]-2-propenoate IUPAC Name: (E)-3-[3-[ethyl(pyridin-1-ium-4-ylmethyl)sulfamoyl]-4,5-dimethoxyphenyl]prop-2-enoate Traditional Name: (E)-3-[3-[ethyl(pyridin-1-ium-4-ylmethyl)sulfamoyl]-4,5-dimethoxy-phenyl]acrylate Formula: C19H22N2O6S MolecularWeight: 406.45278

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=[NH+]C=C1)S(=O)(=O)C2=CC(=CC(=C2OC)OC)C=CC(=O)[O-]

Isomeric SMILES

CCN(CC1=CC=[NH+]C=C1)S(=O)(=O)C2=CC(=CC(=C2OC)OC)/C=C/C(=O)[O-]

InChI

InChI=1S/C19H22N2O6S/c1-4-21(13-14-7-9-20-10-8-14)28(24,25)17-12-15(5-6-18(22)23)11-16(26-2)19(17)27-3/h5-12H,4,13H2,1-3H3,(H,22,23)/b6-5+