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

Systemtic Name: 3-[4-methyl-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-phenyl]-5-(trifluoromethyl)-1,2-oxazole Openeye Name: 3-[4-methyl-3-[4-(2-pyridyl)piperazin-1-yl]sulfonyl-phenyl]-5-(trifluoromethyl)isoxazole CAS Name: 3-[4-methyl-3-[[4-(2-pyridinyl)-1-piperazinyl]sulfonyl]phenyl]-5-(trifluoromethyl)isoxazole IUPAC Name: 3-[4-methyl-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenyl]-5-(trifluoromethyl)-1,2-oxazole Traditional Name: 3-[4-methyl-3-[4-(2-pyridyl)piperazino]sulfonyl-phenyl]-5-(trifluoromethyl)isoxazole Formula: C20H19F3N4O3S MolecularWeight: 452.45007

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NOC(=C2)C(F)(F)F)S(=O)(=O)N3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NOC(=C2)C(F)(F)F)S(=O)(=O)N3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C20H19F3N4O3S/c1-14-5-6-15(16-13-18(30-25-16)20(21,22)23)12-17(14)31(28,29)27-10-8-26(9-11-27)19-4-2-3-7-24-19/h2-7,12-13H,8-11H2,1H3