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

Systemtic Name: 6-morpholin-4-ylsulfonyl-2-[4-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid Openeye Name: 6-morpholinosulfonyl-2-[4-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid CAS Name: 6-(4-morpholinylsulfonyl)-2-[4-(trifluoromethyl)phenyl]-4-quinolinecarboxylic acid IUPAC Name: 6-morpholin-4-ylsulfonyl-2-[4-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid Traditional Name: 6-morpholinosulfonyl-2-[4-(trifluoromethyl)phenyl]cinchoninic acid Formula: C21H17F3N2O5S MolecularWeight: 466.43029

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC3=C(C=C2)N=C(C=C3C(=O)O)C4=CC=C(C=C4)C(F)(F)F

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC3=C(C=C2)N=C(C=C3C(=O)O)C4=CC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C21H17F3N2O5S/c22-21(23,24)14-3-1-13(2-4-14)19-12-17(20(27)28)16-11-15(5-6-18(16)25-19)32(29,30)26-7-9-31-10-8-26/h1-6,11-12H,7-10H2,(H,27,28)