N-(8-methylquinolin-5-yl)-1-[3-(trifluoromethyl)phenyl]sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(8-methylquinolin-5-yl)-1-[3-(trifluoromethyl)phenyl]sulfonyl-piperidine-4-carboxamide Openeye Name: N-(8-methyl-5-quinolyl)-1-[3-(trifluoromethyl)phenyl]sulfonyl-piperidine-4-carboxamide CAS Name: N-(8-methyl-5-quinolinyl)-1-[3-(trifluoromethyl)phenyl]sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(8-methylquinolin-5-yl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide Traditional Name: N-(8-methyl-5-quinolyl)-1-[3-(trifluoromethyl)phenyl]sulfonyl-isonipecotamide Formula: C23H22F3N3O3S MolecularWeight: 477.49929

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)C(F)(F)F)C=CC=N2

Isomeric SMILES

CC1=C2C(=C(C=C1)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)C(F)(F)F)C=CC=N2

InChI

InChI=1S/C23H22F3N3O3S/c1-15-7-8-20(19-6-3-11-27-21(15)19)28-22(30)16-9-12-29(13-10-16)33(31,32)18-5-2-4-17(14-18)23(24,25)26/h2-8,11,14,16H,9-10,12-13H2,1H3,(H,28,30)