N-methyl-N-(4-piperazin-1-ylquinazolin-2-yl)-3-(trifluoromethyl)benzenesulfonamide

Systemtic Name: N-methyl-N-(4-piperazin-1-ylquinazolin-2-yl)-3-(trifluoromethyl)benzenesulfonamide Openeye Name: N-methyl-N-(4-piperazin-1-ylquinazolin-2-yl)-3-(trifluoromethyl)benzenesulfonamide CAS Name: N-methyl-N-[4-(1-piperazinyl)-2-quinazolinyl]-3-(trifluoromethyl)benzenesulfonamide IUPAC Name: N-methyl-N-(4-piperazin-1-ylquinazolin-2-yl)-3-(trifluoromethyl)benzenesulfonamide Traditional Name: N-methyl-N-(4-piperazinoquinazolin-2-yl)-3-(trifluoromethyl)benzenesulfonamide Formula: C20H20F3N5O2S MolecularWeight: 451.46531

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=NC2=CC=CC=C2C(=N1)N3CCNCC3)S(=O)(=O)C4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

CN(C1=NC2=CC=CC=C2C(=N1)N3CCNCC3)S(=O)(=O)C4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C20H20F3N5O2S/c1-27(31(29,30)15-6-4-5-14(13-15)20(21,22)23)19-25-17-8-3-2-7-16(17)18(26-19)28-11-9-24-10-12-28/h2-8,13,24H,9-12H2,1H3