methyl 2-[4-[4-(trifluoromethyl)phenyl]sulfanylpiperidin-1-yl]sulfonylethanoate

Systemtic Name: methyl 2-[4-[4-(trifluoromethyl)phenyl]sulfanylpiperidin-1-yl]sulfonylethanoate Openeye Name: methyl 2-[[4-[4-(trifluoromethyl)phenyl]sulfanyl-1-piperidyl]sulfonyl]acetate CAS Name: 2-[[4-[[4-(trifluoromethyl)phenyl]thio]-1-piperidinyl]sulfonyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-[4-(trifluoromethyl)phenyl]sulfanylpiperidin-1-yl]sulfonylacetate Traditional Name: 2-[4-[[4-(trifluoromethyl)phenyl]thio]piperidino]sulfonylacetic acid methyl ester Formula: C15H18F3NO4S2 MolecularWeight: 397.43293

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CS(=O)(=O)N1CCC(CC1)SC2=CC=C(C=C2)C(F)(F)F

Isomeric SMILES

COC(=O)CS(=O)(=O)N1CCC(CC1)SC2=CC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C15H18F3NO4S2/c1-23-14(20)10-25(21,22)19-8-6-13(7-9-19)24-12-4-2-11(3-5-12)15(16,17)18/h2-5,13H,6-10H2,1H3