N-[4-[2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylpropanoyl]phenyl]methanesulfonamide

Systemtic Name: N-[4-[2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylpropanoyl]phenyl]methanesulfonamide Openeye Name: N-[4-[2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylpropanoyl]phenyl]methanesulfonamide CAS Name: N-[4-[1-oxo-2-[[2-(trifluoromethyl)-4-quinazolinyl]thio]propyl]phenyl]methanesulfonamide IUPAC Name: N-[4-[2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylpropanoyl]phenyl]methanesulfonamide Traditional Name: N-[4-[2-[[2-(trifluoromethyl)quinazolin-4-yl]thio]propanoyl]phenyl]methanesulfonamide Formula: C19H16F3N3O3S2 MolecularWeight: 455.47385

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)NS(=O)(=O)C)SC2=NC(=NC3=CC=CC=C32)C(F)(F)F

Isomeric SMILES

CC(C(=O)C1=CC=C(C=C1)NS(=O)(=O)C)SC2=NC(=NC3=CC=CC=C32)C(F)(F)F

InChI

InChI=1S/C19H16F3N3O3S2/c1-11(16(26)12-7-9-13(10-8-12)25-30(2,27)28)29-17-14-5-3-4-6-15(14)23-18(24-17)19(20,21)22/h3-11,25H,1-2H3