methyl 3-[4-[[4-(trifluoromethyloxy)phenyl]methyl]piperazin-1-yl]sulfonylbenzoate

Systemtic Name: methyl 3-[4-[[4-(trifluoromethyloxy)phenyl]methyl]piperazin-1-yl]sulfonylbenzoate Openeye Name: methyl 3-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]sulfonylbenzoate CAS Name: 3-[[4-[[4-(trifluoromethoxy)phenyl]methyl]-1-piperazinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 3-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]sulfonylbenzoate Traditional Name: 3-[4-[4-(trifluoromethoxy)benzyl]piperazino]sulfonylbenzoic acid methyl ester Formula: C20H21F3N2O5S MolecularWeight: 458.45135

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=C(C=C3)OC(F)(F)F

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=C(C=C3)OC(F)(F)F

InChI

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