phenacyl 1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate

Systemtic Name: phenacyl 1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate Openeye Name: phenacyl 1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate CAS Name: 1-[3-(trifluoromethyl)phenyl]sulfonyl-4-piperidinecarboxylic acid phenacyl ester IUPAC Name: phenacyl 1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate Traditional Name: 1-[3-(trifluoromethyl)phenyl]sulfonylisonipecotic acid phenacyl ester Formula: C21H20F3NO5S MolecularWeight: 455.44741

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC(=O)C2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

C1CN(CCC1C(=O)OCC(=O)C2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C21H20F3NO5S/c22-21(23,24)17-7-4-8-18(13-17)31(28,29)25-11-9-16(10-12-25)20(27)30-14-19(26)15-5-2-1-3-6-15/h1-8,13,16H,9-12,14H2