ethyl 4-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]sulfonylbenzoate CAS Name: 4-[[4-[[2-(trifluoromethyl)phenyl]methyl]-1-piperazinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-[2-(trifluoromethyl)benzyl]piperazino]sulfonylbenzoic acid ethyl ester Formula: C21H23F3N2O4S MolecularWeight: 456.47853

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=CC=C3C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C21H23F3N2O4S/c1-2-30-20(27)16-7-9-18(10-8-16)31(28,29)26-13-11-25(12-14-26)15-17-5-3-4-6-19(17)21(22,23)24/h3-10H,2,11-15H2,1H3