2-[(4-methylphenyl)sulfonylmethyl]-6-nitro-N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine

Systemtic Name: 2-[(4-methylphenyl)sulfonylmethyl]-6-nitro-N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine Openeye Name: 6-nitro-2-(p-tolylsulfonylmethyl)-N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine CAS Name: 2-[(4-methylphenyl)sulfonylmethyl]-6-nitro-N-[3-(trifluoromethyl)phenyl]-4-quinazolinamine IUPAC Name: 2-[(4-methylphenyl)sulfonylmethyl]-6-nitro-N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine Traditional Name: [6-nitro-2-(tosylmethyl)quinazolin-4-yl]-[3-(trifluoromethyl)phenyl]amine Formula: C23H17F3N4O4S MolecularWeight: 502.46569

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CC2=NC3=C(C=C(C=C3)[N+](=O)[O-])C(=N2)NC4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CC2=NC3=C(C=C(C=C3)[N+](=O)[O-])C(=N2)NC4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C23H17F3N4O4S/c1-14-5-8-18(9-6-14)35(33,34)13-21-28-20-10-7-17(30(31)32)12-19(20)22(29-21)27-16-4-2-3-15(11-16)23(24,25)26/h2-12H,13H2,1H3,(H,27,28,29)