3-[4-ethyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonyl-phenyl]-5-(trifluoromethyl)-1,2-oxazole

Systemtic Name: 3-[4-ethyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonyl-phenyl]-5-(trifluoromethyl)-1,2-oxazole Openeye Name: 3-[4-ethyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonyl-phenyl]-5-(trifluoromethyl)isoxazole CAS Name: 3-[4-ethyl-3-[[4-(2-pyrimidinyl)-1-piperazinyl]sulfonyl]phenyl]-5-(trifluoromethyl)isoxazole IUPAC Name: 3-[4-ethyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylphenyl]-5-(trifluoromethyl)-1,2-oxazole Traditional Name: 3-[4-ethyl-3-[4-(2-pyrimidyl)piperazino]sulfonyl-phenyl]-5-(trifluoromethyl)isoxazole Formula: C20H20F3N5O3S MolecularWeight: 467.46471

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)C2=NOC(=C2)C(F)(F)F)S(=O)(=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CCC1=C(C=C(C=C1)C2=NOC(=C2)C(F)(F)F)S(=O)(=O)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C20H20F3N5O3S/c1-2-14-4-5-15(16-13-18(31-26-16)20(21,22)23)12-17(14)32(29,30)28-10-8-27(9-11-28)19-24-6-3-7-25-19/h3-7,12-13H,2,8-11H2,1H3