N-(2-quinolin-8-ylethyl)-1-[3-(trifluoromethyl)phenyl]sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(2-quinolin-8-ylethyl)-1-[3-(trifluoromethyl)phenyl]sulfonyl-piperidine-4-carboxamide Openeye Name: N-[2-(8-quinolyl)ethyl]-1-[3-(trifluoromethyl)phenyl]sulfonyl-piperidine-4-carboxamide CAS Name: N-[2-(8-quinolinyl)ethyl]-1-[3-(trifluoromethyl)phenyl]sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(2-quinolin-8-ylethyl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide Traditional Name: N-[2-(8-quinolyl)ethyl]-1-[3-(trifluoromethyl)phenyl]sulfonyl-isonipecotamide Formula: C24H24F3N3O3S MolecularWeight: 491.52587

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCCC2=CC=CC3=C2N=CC=C3)S(=O)(=O)C4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

C1CN(CCC1C(=O)NCCC2=CC=CC3=C2N=CC=C3)S(=O)(=O)C4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C24H24F3N3O3S/c25-24(26,27)20-7-2-8-21(16-20)34(32,33)30-14-10-19(11-15-30)23(31)29-13-9-18-5-1-4-17-6-3-12-28-22(17)18/h1-8,12,16,19H,9-11,13-15H2,(H,29,31)