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

Systemtic Name: 3-[3,4-dimethoxy-5-(pyridin-4-ylmethylsulfamoyl)phenyl]prop-2-enoic acid Openeye Name: 3-[3,4-dimethoxy-5-(4-pyridylmethylsulfamoyl)phenyl]prop-2-enoic acid CAS Name: 3-[3,4-dimethoxy-5-(pyridin-4-ylmethylsulfamoyl)phenyl]-2-propenoic acid IUPAC Name: 3-[3,4-dimethoxy-5-(pyridin-4-ylmethylsulfamoyl)phenyl]prop-2-enoic acid Traditional Name: 3-[3,4-dimethoxy-5-(4-pyridylmethylsulfamoyl)phenyl]acrylic acid Formula: C17H18N2O6S MolecularWeight: 378.39962

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=CC(=O)O)S(=O)(=O)NCC2=CC=NC=C2)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)C=CC(=O)O)S(=O)(=O)NCC2=CC=NC=C2)OC

InChI

InChI=1S/C17H18N2O6S/c1-24-14-9-13(3-4-16(20)21)10-15(17(14)25-2)26(22,23)19-11-12-5-7-18-8-6-12/h3-10,19H,11H2,1-2H3,(H,20,21)