6-(diethylsulfamoyl)-2-[4-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid

Systemtic Name: 6-(diethylsulfamoyl)-2-[4-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid Openeye Name: 6-(diethylsulfamoyl)-2-[4-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid CAS Name: 6-(diethylsulfamoyl)-2-[4-(trifluoromethyl)phenyl]-4-quinolinecarboxylic acid IUPAC Name: 6-(diethylsulfamoyl)-2-[4-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid Traditional Name: 6-(diethylsulfamoyl)-2-[4-(trifluoromethyl)phenyl]cinchoninic acid Formula: C21H19F3N2O4S MolecularWeight: 452.44677

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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=CC=C(C=C3)C(F)(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)C(F)(F)F

InChI

InChI=1S/C21H19F3N2O4S/c1-3-26(4-2)31(29,30)15-9-10-18-16(11-15)17(20(27)28)12-19(25-18)13-5-7-14(8-6-13)21(22,23)24/h5-12H,3-4H2,1-2H3,(H,27,28)