2-[2,5-bis(fluoranyl)phenyl]-6-(diethylsulfamoyl)quinoline-4-carboxylic acid

Systemtic Name: 2-[2,5-bis(fluoranyl)phenyl]-6-(diethylsulfamoyl)quinoline-4-carboxylic acid Openeye Name: 6-(diethylsulfamoyl)-2-(2,5-difluorophenyl)quinoline-4-carboxylic acid CAS Name: 6-(diethylsulfamoyl)-2-(2,5-difluorophenyl)-4-quinolinecarboxylic acid IUPAC Name: 6-(diethylsulfamoyl)-2-(2,5-difluorophenyl)quinoline-4-carboxylic acid Traditional Name: 6-(diethylsulfamoyl)-2-(2,5-difluorophenyl)cinchoninic acid Formula: C20H18F2N2O4S MolecularWeight: 420.429726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=C(C=CC(=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)16-9-12(21)5-7-17(16)22/h5-11H,3-4H2,1-2H3,(H,25,26)