2-[(4-methylphenyl)sulfonylmethyl]-N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine

Systemtic Name: 2-[(4-methylphenyl)sulfonylmethyl]-N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine Openeye Name: 2-(p-tolylsulfonylmethyl)-N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine CAS Name: 2-[(4-methylphenyl)sulfonylmethyl]-N-[3-(trifluoromethyl)phenyl]-4-quinazolinamine IUPAC Name: 2-[(4-methylphenyl)sulfonylmethyl]-N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine Traditional Name: [2-(tosylmethyl)quinazolin-4-yl]-[3-(trifluoromethyl)phenyl]amine Formula: C23H18F3N3O2S MolecularWeight: 457.46813

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CC2=NC3=CC=CC=C3C(=N2)NC4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CC2=NC3=CC=CC=C3C(=N2)NC4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C23H18F3N3O2S/c1-15-9-11-18(12-10-15)32(30,31)14-21-28-20-8-3-2-7-19(20)22(29-21)27-17-6-4-5-16(13-17)23(24,25)26/h2-13H,14H2,1H3,(H,27,28,29)