2-[3,4-bis(fluoranyl)phenyl]-6-(diethylsulfamoyl)quinoline-4-carboxylic acid

Systemtic Name: 2-[3,4-bis(fluoranyl)phenyl]-6-(diethylsulfamoyl)quinoline-4-carboxylic acid Openeye Name: 6-(diethylsulfamoyl)-2-(3,4-difluorophenyl)quinoline-4-carboxylic acid CAS Name: 6-(diethylsulfamoyl)-2-(3,4-difluorophenyl)-4-quinolinecarboxylic acid IUPAC Name: 6-(diethylsulfamoyl)-2-(3,4-difluorophenyl)quinoline-4-carboxylic acid Traditional Name: 6-(diethylsulfamoyl)-2-(3,4-difluorophenyl)cinchoninic acid Formula: C20H18F2N2O4S MolecularWeight: 420.429726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=CC(=C(C=C3)F)F

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=CC(=C(C=C3)F)F

InChI

InChI=1S/C20H18F2N2O4S/c1-3-24(4-2)29(27,28)13-6-8-18-14(10-13)15(20(25)26)11-19(23-18)12-5-7-16(21)17(22)9-12/h5-11H,3-4H2,1-2H3,(H,25,26)