(E)-3-[3-[[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]sulfamoyl]-4,5-dimethoxy-phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[3-[[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]sulfamoyl]-4,5-dimethoxy-phenyl]prop-2-enoic acid Openeye Name: (E)-3-[3-[[2-(2-furylmethylamino)-2-oxo-ethyl]sulfamoyl]-4,5-dimethoxy-phenyl]prop-2-enoic acid CAS Name: (E)-3-[3-[[2-(2-furanylmethylamino)-2-oxoethyl]sulfamoyl]-4,5-dimethoxyphenyl]-2-propenoic acid IUPAC Name: (E)-3-[3-[[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfamoyl]-4,5-dimethoxyphenyl]prop-2-enoic acid Traditional Name: (E)-3-[3-[[2-(2-furfurylamino)-2-keto-ethyl]sulfamoyl]-4,5-dimethoxy-phenyl]acrylic acid Formula: C18H20N2O8S MolecularWeight: 424.425

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=CC(=O)O)S(=O)(=O)NCC(=O)NCC2=CC=CO2)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C/C(=O)O)S(=O)(=O)NCC(=O)NCC2=CC=CO2)OC

InChI

InChI=1S/C18H20N2O8S/c1-26-14-8-12(5-6-17(22)23)9-15(18(14)27-2)29(24,25)20-11-16(21)19-10-13-4-3-7-28-13/h3-9,20H,10-11H2,1-2H3,(H,19,21)(H,22,23)/b6-5+