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

Systemtic Name: 3-[5-methyl-4-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-thiophen-2-yl]-5-(trifluoromethyl)-1,2-oxazole Openeye Name: 3-[5-methyl-4-[4-(2-pyridyl)piperazin-1-yl]sulfonyl-2-thienyl]-5-(trifluoromethyl)isoxazole CAS Name: 3-[5-methyl-4-[[4-(2-pyridinyl)-1-piperazinyl]sulfonyl]-2-thiophenyl]-5-(trifluoromethyl)isoxazole IUPAC Name: 3-[5-methyl-4-(4-pyridin-2-ylpiperazin-1-yl)sulfonylthiophen-2-yl]-5-(trifluoromethyl)-1,2-oxazole Traditional Name: 3-[5-methyl-4-[4-(2-pyridyl)piperazino]sulfonyl-2-thienyl]-5-(trifluoromethyl)isoxazole Formula: C18H17F3N4O3S2 MolecularWeight: 458.47779

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(S1)C2=NOC(=C2)C(F)(F)F)S(=O)(=O)N3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

CC1=C(C=C(S1)C2=NOC(=C2)C(F)(F)F)S(=O)(=O)N3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C18H17F3N4O3S2/c1-12-15(11-14(29-12)13-10-16(28-23-13)18(19,20)21)30(26,27)25-8-6-24(7-9-25)17-4-2-3-5-22-17/h2-5,10-11H,6-9H2,1H3