methyl 2-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]sulfonylbenzoate

Systemtic Name: methyl 2-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]sulfonylbenzoate Openeye Name: methyl 2-[[1-[[3-(trifluoromethyl)phenyl]methyl]-4-piperidyl]sulfonyl]benzoate CAS Name: 2-[[1-[[3-(trifluoromethyl)phenyl]methyl]-4-piperidinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 2-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]sulfonylbenzoate Traditional Name: 2-[[1-[3-(trifluoromethyl)benzyl]-4-piperidyl]sulfonyl]benzoic acid methyl ester Formula: C21H22F3NO4S MolecularWeight: 441.46389

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1S(=O)(=O)C2CCN(CC2)CC3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

COC(=O)C1=CC=CC=C1S(=O)(=O)C2CCN(CC2)CC3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C21H22F3NO4S/c1-29-20(26)18-7-2-3-8-19(18)30(27,28)17-9-11-25(12-10-17)14-15-5-4-6-16(13-15)21(22,23)24/h2-8,13,17H,9-12,14H2,1H3