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

Systemtic Name: N-(2-fluoranylethyl)-N-(2-piperazin-1-ylquinazolin-4-yl)-4-(trifluoromethyl)benzenesulfonamide Openeye Name: N-(2-fluoroethyl)-N-(2-piperazin-1-ylquinazolin-4-yl)-4-(trifluoromethyl)benzenesulfonamide CAS Name: N-(2-fluoroethyl)-N-[2-(1-piperazinyl)-4-quinazolinyl]-4-(trifluoromethyl)benzenesulfonamide IUPAC Name: N-(2-fluoroethyl)-N-(2-piperazin-1-ylquinazolin-4-yl)-4-(trifluoromethyl)benzenesulfonamide Traditional Name: N-(2-fluoroethyl)-N-(2-piperazinoquinazolin-4-yl)-4-(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=C(C=C4)C(F)(F)F

Isomeric SMILES

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

InChI

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