3-[4-(4-fluorophenyl)-6-piperazin-1-yl-2-(trifluoromethyl)pyrimidin-5-yl]benzenesulfonamide

Systemtic Name: 3-[4-(4-fluorophenyl)-6-piperazin-1-yl-2-(trifluoromethyl)pyrimidin-5-yl]benzenesulfonamide Openeye Name: 3-[4-(4-fluorophenyl)-6-piperazin-1-yl-2-(trifluoromethyl)pyrimidin-5-yl]benzenesulfonamide CAS Name: 3-[4-(4-fluorophenyl)-6-(1-piperazinyl)-2-(trifluoromethyl)-5-pyrimidinyl]benzenesulfonamide IUPAC Name: 3-[4-(4-fluorophenyl)-6-piperazin-1-yl-2-(trifluoromethyl)pyrimidin-5-yl]benzenesulfonamide Traditional Name: 3-[4-(4-fluorophenyl)-6-piperazino-2-(trifluoromethyl)pyrimidin-5-yl]benzenesulfonamide Formula: C21H19F4N5O2S MolecularWeight: 481.466473

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=NC(=NC(=C2C3=CC(=CC=C3)S(=O)(=O)N)C4=CC=C(C=C4)F)C(F)(F)F

Isomeric SMILES

C1CN(CCN1)C2=NC(=NC(=C2C3=CC(=CC=C3)S(=O)(=O)N)C4=CC=C(C=C4)F)C(F)(F)F

InChI

InChI=1S/C21H19F4N5O2S/c22-15-6-4-13(5-7-15)18-17(14-2-1-3-16(12-14)33(26,31)32)19(30-10-8-27-9-11-30)29-20(28-18)21(23,24)25/h1-7,12,27H,8-11H2,(H2,26,31,32)