methyl 4-[[4-[4-(trifluoromethyloxy)phenyl]sulfonylpiperazin-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[4-[4-(trifluoromethyloxy)phenyl]sulfonylpiperazin-1-yl]methyl]benzoate Openeye Name: methyl 4-[[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]methyl]benzoate CAS Name: 4-[[4-[4-(trifluoromethoxy)phenyl]sulfonyl-1-piperazinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]methyl]benzoate Traditional Name: 4-[[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazino]methyl]benzoic acid methyl ester Formula: C20H21F3N2O5S MolecularWeight: 458.45135

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC(F)(F)F

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC(F)(F)F

InChI

InChI=1S/C20H21F3N2O5S/c1-29-19(26)16-4-2-15(3-5-16)14-24-10-12-25(13-11-24)31(27,28)18-8-6-17(7-9-18)30-20(21,22)23/h2-9H,10-14H2,1H3