N-tert-butyl-4-[[7-[3-(trifluoromethyl)pyridin-2-yl]quinazolin-4-yl]amino]benzenesulfonamide

Systemtic Name: N-tert-butyl-4-[[7-[3-(trifluoromethyl)pyridin-2-yl]quinazolin-4-yl]amino]benzenesulfonamide Openeye Name: N-tert-butyl-4-[[7-[3-(trifluoromethyl)-2-pyridyl]quinazolin-4-yl]amino]benzenesulfonamide CAS Name: N-tert-butyl-4-[[7-[3-(trifluoromethyl)-2-pyridinyl]-4-quinazolinyl]amino]benzenesulfonamide IUPAC Name: N-tert-butyl-4-[[7-[3-(trifluoromethyl)pyridin-2-yl]quinazolin-4-yl]amino]benzenesulfonamide Traditional Name: N-tert-butyl-4-[[7-[3-(trifluoromethyl)-2-pyridyl]quinazolin-4-yl]amino]benzenesulfonamide Formula: C24H22F3N5O2S MolecularWeight: 501.52399

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NS(=O)(=O)C1=CC=C(C=C1)NC2=NC=NC3=C2C=CC(=C3)C4=C(C=CC=N4)C(F)(F)F

Isomeric SMILES

CC(C)(C)NS(=O)(=O)C1=CC=C(C=C1)NC2=NC=NC3=C2C=CC(=C3)C4=C(C=CC=N4)C(F)(F)F

InChI

InChI=1S/C24H22F3N5O2S/c1-23(2,3)32-35(33,34)17-9-7-16(8-10-17)31-22-18-11-6-15(13-20(18)29-14-30-22)21-19(24(25,26)27)5-4-12-28-21/h4-14,32H,1-3H3,(H,29,30,31)