N2-[1-[4-bromanyl-2-(trifluoromethyloxy)phenyl]sulfonylpiperidin-4-yl]-N4,N4-dimethyl-quinazoline-2,4-diamine

Systemtic Name: N2-[1-[4-bromanyl-2-(trifluoromethyloxy)phenyl]sulfonylpiperidin-4-yl]-N4,N4-dimethyl-quinazoline-2,4-diamine Openeye Name: N2-[1-[4-bromo-2-(trifluoromethoxy)phenyl]sulfonyl-4-piperidyl]-N4,N4-dimethyl-quinazoline-2,4-diamine CAS Name: N2-[1-[4-bromo-2-(trifluoromethoxy)phenyl]sulfonyl-4-piperidinyl]-N4,N4-dimethylquinazoline-2,4-diamine IUPAC Name: 2-N-[1-[4-bromo-2-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]-4-N,4-N-dimethylquinazoline-2,4-diamine Traditional Name: [2-[[1-[4-bromo-2-(trifluoromethoxy)phenyl]sulfonyl-4-piperidyl]amino]quinazolin-4-yl]-dimethyl-amine Formula: C22H23BrF3N5O3S MolecularWeight: 574.41393

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC(=NC2=CC=CC=C21)NC3CCN(CC3)S(=O)(=O)C4=C(C=C(C=C4)Br)OC(F)(F)F

Isomeric SMILES

CN(C)C1=NC(=NC2=CC=CC=C21)NC3CCN(CC3)S(=O)(=O)C4=C(C=C(C=C4)Br)OC(F)(F)F

InChI

InChI=1S/C22H23BrF3N5O3S/c1-30(2)20-16-5-3-4-6-17(16)28-21(29-20)27-15-9-11-31(12-10-15)35(32,33)19-8-7-14(23)13-18(19)34-22(24,25)26/h3-8,13,15H,9-12H2,1-2H3,(H,27,28,29)