6-piperidin-1-ylsulfonyl-2-[2-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid

Systemtic Name: 6-piperidin-1-ylsulfonyl-2-[2-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid Openeye Name: 6-(1-piperidylsulfonyl)-2-[2-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid CAS Name: 6-(1-piperidinylsulfonyl)-2-[2-(trifluoromethyl)phenyl]-4-quinolinecarboxylic acid IUPAC Name: 6-piperidin-1-ylsulfonyl-2-[2-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid Traditional Name: 6-piperidinosulfonyl-2-[2-(trifluoromethyl)phenyl]cinchoninic acid Formula: C22H19F3N2O4S MolecularWeight: 464.45747

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N=C(C=C3C(=O)O)C4=CC=CC=C4C(F)(F)F

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N=C(C=C3C(=O)O)C4=CC=CC=C4C(F)(F)F

InChI

InChI=1S/C22H19F3N2O4S/c23-22(24,25)18-7-3-2-6-15(18)20-13-17(21(28)29)16-12-14(8-9-19(16)26-20)32(30,31)27-10-4-1-5-11-27/h2-3,6-9,12-13H,1,4-5,10-11H2,(H,28,29)