5-(tert-butylsulfonylamino)-N-[2-[2-(trifluoromethyl)quinolin-4-yl]sulfanylethyl]pentanamide

Systemtic Name: 5-(tert-butylsulfonylamino)-N-[2-[2-(trifluoromethyl)quinolin-4-yl]sulfanylethyl]pentanamide Openeye Name: 5-(tert-butylsulfonylamino)-N-[2-[[2-(trifluoromethyl)-4-quinolyl]sulfanyl]ethyl]pentanamide CAS Name: 5-(tert-butylsulfonylamino)-N-[2-[[2-(trifluoromethyl)-4-quinolinyl]thio]ethyl]pentanamide IUPAC Name: 5-(tert-butylsulfonylamino)-N-[2-[2-(trifluoromethyl)quinolin-4-yl]sulfanylethyl]pentanamide Traditional Name: 5-(tert-butylsulfonylamino)-N-[2-[[2-(trifluoromethyl)-4-quinolyl]thio]ethyl]valeramide Formula: C21H28F3N3O3S2 MolecularWeight: 491.59053

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)S(=O)(=O)NCCCCC(=O)NCCSC1=CC(=NC2=CC=CC=C21)C(F)(F)F

Isomeric SMILES

CC(C)(C)S(=O)(=O)NCCCCC(=O)NCCSC1=CC(=NC2=CC=CC=C21)C(F)(F)F

InChI

InChI=1S/C21H28F3N3O3S2/c1-20(2,3)32(29,30)26-11-7-6-10-19(28)25-12-13-31-17-14-18(21(22,23)24)27-16-9-5-4-8-15(16)17/h4-5,8-9,14,26H,6-7,10-13H2,1-3H3,(H,25,28)