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

Systemtic Name: N-(2-fluoranylethyl)-N-(2-piperazin-1-ylquinazolin-4-yl)-3-(trifluoromethyl)benzenesulfonamide Openeye Name: N-(2-fluoroethyl)-N-(2-piperazin-1-ylquinazolin-4-yl)-3-(trifluoromethyl)benzenesulfonamide CAS Name: N-(2-fluoroethyl)-N-[2-(1-piperazinyl)-4-quinazolinyl]-3-(trifluoromethyl)benzenesulfonamide IUPAC Name: N-(2-fluoroethyl)-N-(2-piperazin-1-ylquinazolin-4-yl)-3-(trifluoromethyl)benzenesulfonamide Traditional Name: N-(2-fluoroethyl)-N-(2-piperazinoquinazolin-4-yl)-3-(trifluoromethyl)benzenesulfonamide Formula: C21H21F4N5O2S MolecularWeight: 483.482353

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=NC3=CC=CC=C3C(=N2)N(CCF)S(=O)(=O)C4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

C1CN(CCN1)C2=NC3=CC=CC=C3C(=N2)N(CCF)S(=O)(=O)C4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C21H21F4N5O2S/c22-8-11-30(33(31,32)16-5-3-4-15(14-16)21(23,24)25)19-17-6-1-2-7-18(17)27-20(28-19)29-12-9-26-10-13-29/h1-7,14,26H,8-13H2