1-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]carbonyl-3,4-dihydro-2H-quinoline-5-carboxylic acid

Systemtic Name: 1-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]carbonyl-3,4-dihydro-2H-quinoline-5-carboxylic acid Openeye Name: 1-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carbonyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid CAS Name: 1-[oxo-[1-[3-(trifluoromethyl)phenyl]sulfonyl-4-piperidinyl]methyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid IUPAC Name: 1-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carbonyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid Traditional Name: 1-[1-[3-(trifluoromethyl)phenyl]sulfonylisonipecotoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid Formula: C23H23F3N2O5S MolecularWeight: 496.49933

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC=C2N(C1)C(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)C(F)(F)F)C(=O)O

Isomeric SMILES

C1CC2=C(C=CC=C2N(C1)C(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)C(F)(F)F)C(=O)O

InChI

InChI=1S/C23H23F3N2O5S/c24-23(25,26)16-4-1-5-17(14-16)34(32,33)27-12-9-15(10-13-27)21(29)28-11-3-7-18-19(22(30)31)6-2-8-20(18)28/h1-2,4-6,8,14-15H,3,7,9-13H2,(H,30,31)