N-(3-pyrrolidin-1-ylsulfonylphenyl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-ethanamide

Systemtic Name: N-(3-pyrrolidin-1-ylsulfonylphenyl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-ethanamide Openeye Name: N-(3-pyrrolidin-1-ylsulfonylphenyl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-acetamide CAS Name: N-[3-(1-pyrrolidinylsulfonyl)phenyl]-2-[[2-(trifluoromethyl)-4-quinazolinyl]thio]acetamide IUPAC Name: N-(3-pyrrolidin-1-ylsulfonylphenyl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylacetamide Traditional Name: N-(3-pyrrolidinosulfonylphenyl)-2-[[2-(trifluoromethyl)quinazolin-4-yl]thio]acetamide Formula: C21H19F3N4O3S2 MolecularWeight: 496.52577

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CSC3=NC(=NC4=CC=CC=C43)C(F)(F)F

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CSC3=NC(=NC4=CC=CC=C43)C(F)(F)F

InChI

InChI=1S/C21H19F3N4O3S2/c22-21(23,24)20-26-17-9-2-1-8-16(17)19(27-20)32-13-18(29)25-14-6-5-7-15(12-14)33(30,31)28-10-3-4-11-28/h1-2,5-9,12H,3-4,10-11,13H2,(H,25,29)