3-[3,4-dimethoxy-5-(2-pyridin-2-ylethylsulfamoyl)phenyl]prop-2-enoic acid

Systemtic Name: 3-[3,4-dimethoxy-5-(2-pyridin-2-ylethylsulfamoyl)phenyl]prop-2-enoic acid Openeye Name: 3-[3,4-dimethoxy-5-[2-(2-pyridyl)ethylsulfamoyl]phenyl]prop-2-enoic acid CAS Name: 3-[3,4-dimethoxy-5-[2-(2-pyridinyl)ethylsulfamoyl]phenyl]-2-propenoic acid IUPAC Name: 3-[3,4-dimethoxy-5-(2-pyridin-2-ylethylsulfamoyl)phenyl]prop-2-enoic acid Traditional Name: 3-[3,4-dimethoxy-5-[2-(2-pyridyl)ethylsulfamoyl]phenyl]acrylic acid Formula: C18H20N2O6S MolecularWeight: 392.4262

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=CC(=O)O)S(=O)(=O)NCCC2=CC=CC=N2)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)C=CC(=O)O)S(=O)(=O)NCCC2=CC=CC=N2)OC

InChI

InChI=1S/C18H20N2O6S/c1-25-15-11-13(6-7-17(21)22)12-16(18(15)26-2)27(23,24)20-10-8-14-5-3-4-9-19-14/h3-7,9,11-12,20H,8,10H2,1-2H3,(H,21,22)