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

Systemtic Name: 3-[4-ethyl-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-phenyl]-5-(trifluoromethyl)-1,2-oxazole Openeye Name: 3-[4-ethyl-3-[4-(2-pyridyl)piperazin-1-yl]sulfonyl-phenyl]-5-(trifluoromethyl)isoxazole CAS Name: 3-[4-ethyl-3-[[4-(2-pyridinyl)-1-piperazinyl]sulfonyl]phenyl]-5-(trifluoromethyl)isoxazole IUPAC Name: 3-[4-ethyl-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenyl]-5-(trifluoromethyl)-1,2-oxazole Traditional Name: 3-[4-ethyl-3-[4-(2-pyridyl)piperazino]sulfonyl-phenyl]-5-(trifluoromethyl)isoxazole Formula: C21H21F3N4O3S MolecularWeight: 466.47665

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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=CC=CC=N4

Isomeric SMILES

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

InChI

InChI=1S/C21H21F3N4O3S/c1-2-15-6-7-16(17-14-19(31-26-17)21(22,23)24)13-18(15)32(29,30)28-11-9-27(10-12-28)20-5-3-4-8-25-20/h3-8,13-14H,2,9-12H2,1H3