5-piperidin-1-ylsulfonyl-2-[[2-(trifluoromethyl)phenyl]methylsulfanyl]-1,3-benzoxazole

Systemtic Name: 5-piperidin-1-ylsulfonyl-2-[[2-(trifluoromethyl)phenyl]methylsulfanyl]-1,3-benzoxazole Openeye Name: 5-(1-piperidylsulfonyl)-2-[[2-(trifluoromethyl)phenyl]methylsulfanyl]-1,3-benzoxazole CAS Name: 5-(1-piperidinylsulfonyl)-2-[[2-(trifluoromethyl)phenyl]methylthio]-1,3-benzoxazole IUPAC Name: 5-piperidin-1-ylsulfonyl-2-[[2-(trifluoromethyl)phenyl]methylsulfanyl]-1,3-benzoxazole Traditional Name: 5-piperidinosulfonyl-2-[[2-(trifluoromethyl)benzyl]thio]-1,3-benzoxazole Formula: C20H19F3N2O3S2 MolecularWeight: 456.50167

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OC(=N3)SCC4=CC=CC=C4C(F)(F)F

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OC(=N3)SCC4=CC=CC=C4C(F)(F)F

InChI

InChI=1S/C20H19F3N2O3S2/c21-20(22,23)16-7-3-2-6-14(16)13-29-19-24-17-12-15(8-9-18(17)28-19)30(26,27)25-10-4-1-5-11-25/h2-3,6-9,12H,1,4-5,10-11,13H2