4-bromanyl-N-[4-[(quinazolin-2-ylamino)methyl]cyclohexyl]-2-(trifluoromethyloxy)benzenesulfonamide

Systemtic Name: 4-bromanyl-N-[4-[(quinazolin-2-ylamino)methyl]cyclohexyl]-2-(trifluoromethyloxy)benzenesulfonamide Openeye Name: 4-bromo-N-[4-[(quinazolin-2-ylamino)methyl]cyclohexyl]-2-(trifluoromethoxy)benzenesulfonamide CAS Name: 4-bromo-N-[4-[(2-quinazolinylamino)methyl]cyclohexyl]-2-(trifluoromethoxy)benzenesulfonamide IUPAC Name: 4-bromo-N-[4-[(quinazolin-2-ylamino)methyl]cyclohexyl]-2-(trifluoromethoxy)benzenesulfonamide Traditional Name: 4-bromo-N-[4-[(quinazolin-2-ylamino)methyl]cyclohexyl]-2-(trifluoromethoxy)benzenesulfonamide Formula: C22H22BrF3N4O3S MolecularWeight: 559.39929

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CNC2=NC3=CC=CC=C3C=N2)NS(=O)(=O)C4=C(C=C(C=C4)Br)OC(F)(F)F

Isomeric SMILES

C1CC(CCC1CNC2=NC3=CC=CC=C3C=N2)NS(=O)(=O)C4=C(C=C(C=C4)Br)OC(F)(F)F

InChI

InChI=1S/C22H22BrF3N4O3S/c23-16-7-10-20(19(11-16)33-22(24,25)26)34(31,32)30-17-8-5-14(6-9-17)12-27-21-28-13-15-3-1-2-4-18(15)29-21/h1-4,7,10-11,13-14,17,30H,5-6,8-9,12H2,(H,27,28,29)