[3-(trifluoromethyl)phenyl]methyl 2-(4-piperidin-1-ylsulfonylphenyl)ethanoate

Systemtic Name: [3-(trifluoromethyl)phenyl]methyl 2-(4-piperidin-1-ylsulfonylphenyl)ethanoate Openeye Name: [3-(trifluoromethyl)phenyl]methyl 2-[4-(1-piperidylsulfonyl)phenyl]acetate CAS Name: 2-[4-(1-piperidinylsulfonyl)phenyl]acetic acid [3-(trifluoromethyl)phenyl]methyl ester IUPAC Name: [3-(trifluoromethyl)phenyl]methyl 2-(4-piperidin-1-ylsulfonylphenyl)acetate Traditional Name: 2-(4-piperidinosulfonylphenyl)acetic acid [3-(trifluoromethyl)benzyl] ester Formula: C21H22F3NO4S MolecularWeight: 441.46389

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CC(=O)OCC3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CC(=O)OCC3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C21H22F3NO4S/c22-21(23,24)18-6-4-5-17(13-18)15-29-20(26)14-16-7-9-19(10-8-16)30(27,28)25-11-2-1-3-12-25/h4-10,13H,1-3,11-12,14-15H2