N-methyl-N-[2-(4-methylpiperazin-1-yl)quinazolin-4-yl]-3-(trifluoromethyl)benzenesulfonamide

Systemtic Name: N-methyl-N-[2-(4-methylpiperazin-1-yl)quinazolin-4-yl]-3-(trifluoromethyl)benzenesulfonamide Openeye Name: N-methyl-N-[2-(4-methylpiperazin-1-yl)quinazolin-4-yl]-3-(trifluoromethyl)benzenesulfonamide CAS Name: N-methyl-N-[2-(4-methyl-1-piperazinyl)-4-quinazolinyl]-3-(trifluoromethyl)benzenesulfonamide IUPAC Name: N-methyl-N-[2-(4-methylpiperazin-1-yl)quinazolin-4-yl]-3-(trifluoromethyl)benzenesulfonamide Traditional Name: N-methyl-N-[2-(4-methylpiperazino)quinazolin-4-yl]-3-(trifluoromethyl)benzenesulfonamide Formula: C21H22F3N5O2S MolecularWeight: 465.49189

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NC3=CC=CC=C3C(=N2)N(C)S(=O)(=O)C4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

CN1CCN(CC1)C2=NC3=CC=CC=C3C(=N2)N(C)S(=O)(=O)C4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C21H22F3N5O2S/c1-27-10-12-29(13-11-27)20-25-18-9-4-3-8-17(18)19(26-20)28(2)32(30,31)16-7-5-6-15(14-16)21(22,23)24/h3-9,14H,10-13H2,1-2H3