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

Systemtic Name: 3-phenyl-5-[[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]-1,2-oxazole Openeye Name: 3-phenyl-5-[[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]isoxazole CAS Name: 3-phenyl-5-[[4-[2-(trifluoromethyl)phenyl]sulfonyl-1-piperazinyl]methyl]isoxazole IUPAC Name: 3-phenyl-5-[[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]-1,2-oxazole Traditional Name: 3-phenyl-5-[[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazino]methyl]isoxazole Formula: C21H20F3N3O3S MolecularWeight: 451.46201

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC(=NO2)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4C(F)(F)F

Isomeric SMILES

C1CN(CCN1CC2=CC(=NO2)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4C(F)(F)F

InChI

InChI=1S/C21H20F3N3O3S/c22-21(23,24)18-8-4-5-9-20(18)31(28,29)27-12-10-26(11-13-27)15-17-14-19(25-30-17)16-6-2-1-3-7-16/h1-9,14H,10-13,15H2