6-(diethylsulfamoyl)-2-(3-fluoranyl-4-methoxy-phenyl)quinoline-4-carboxylic acid

Systemtic Name: 6-(diethylsulfamoyl)-2-(3-fluoranyl-4-methoxy-phenyl)quinoline-4-carboxylic acid Openeye Name: 6-(diethylsulfamoyl)-2-(3-fluoro-4-methoxy-phenyl)quinoline-4-carboxylic acid CAS Name: 6-(diethylsulfamoyl)-2-(3-fluoro-4-methoxyphenyl)-4-quinolinecarboxylic acid IUPAC Name: 6-(diethylsulfamoyl)-2-(3-fluoro-4-methoxyphenyl)quinoline-4-carboxylic acid Traditional Name: 6-(diethylsulfamoyl)-2-(3-fluoro-4-methoxy-phenyl)cinchoninic acid Formula: C21H21FN2O5S MolecularWeight: 432.465243

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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)OC)F

Isomeric SMILES

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

InChI

InChI=1S/C21H21FN2O5S/c1-4-24(5-2)30(27,28)14-7-8-18-15(11-14)16(21(25)26)12-19(23-18)13-6-9-20(29-3)17(22)10-13/h6-12H,4-5H2,1-3H3,(H,25,26)