N-[[4-[[3-(trifluoromethyl)phenyl]methylamino]quinazolin-2-yl]methyl]thiophene-3-sulfonamide

Systemtic Name: N-[[4-[[3-(trifluoromethyl)phenyl]methylamino]quinazolin-2-yl]methyl]thiophene-3-sulfonamide Openeye Name: N-[[4-[[3-(trifluoromethyl)phenyl]methylamino]quinazolin-2-yl]methyl]thiophene-3-sulfonamide CAS Name: N-[[4-[[3-(trifluoromethyl)phenyl]methylamino]-2-quinazolinyl]methyl]-3-thiophenesulfonamide IUPAC Name: N-[[4-[[3-(trifluoromethyl)phenyl]methylamino]quinazolin-2-yl]methyl]thiophene-3-sulfonamide Traditional Name: N-[[4-[[3-(trifluoromethyl)benzyl]amino]quinazolin-2-yl]methyl]thiophene-3-sulfonamide Formula: C21H17F3N4O2S2 MolecularWeight: 478.51049

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC(=N2)CNS(=O)(=O)C3=CSC=C3)NCC4=CC(=CC=C4)C(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC(=N2)CNS(=O)(=O)C3=CSC=C3)NCC4=CC(=CC=C4)C(F)(F)F

InChI

InChI=1S/C21H17F3N4O2S2/c22-21(23,24)15-5-3-4-14(10-15)11-25-20-17-6-1-2-7-18(17)27-19(28-20)12-26-32(29,30)16-8-9-31-13-16/h1-10,13,26H,11-12H2,(H,25,27,28)