N-[3-(tert-butylsulfamoyl)phenyl]-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-ethanamide

Systemtic Name: N-[3-(tert-butylsulfamoyl)phenyl]-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-ethanamide Openeye Name: N-[3-(tert-butylsulfamoyl)phenyl]-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-acetamide CAS Name: N-[3-(tert-butylsulfamoyl)phenyl]-2-[[2-(trifluoromethyl)-4-quinazolinyl]thio]acetamide IUPAC Name: N-[3-(tert-butylsulfamoyl)phenyl]-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylacetamide Traditional Name: N-[3-(tert-butylsulfamoyl)phenyl]-2-[[2-(trifluoromethyl)quinazolin-4-yl]thio]acetamide Formula: C21H21F3N4O3S2 MolecularWeight: 498.54165

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NS(=O)(=O)C1=CC=CC(=C1)NC(=O)CSC2=NC(=NC3=CC=CC=C32)C(F)(F)F

Isomeric SMILES

CC(C)(C)NS(=O)(=O)C1=CC=CC(=C1)NC(=O)CSC2=NC(=NC3=CC=CC=C32)C(F)(F)F

InChI

InChI=1S/C21H21F3N4O3S2/c1-20(2,3)28-33(30,31)14-8-6-7-13(11-14)25-17(29)12-32-18-15-9-4-5-10-16(15)26-19(27-18)21(22,23)24/h4-11,28H,12H2,1-3H3,(H,25,29)