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

Systemtic Name: 2-phenoxyethyl 1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate Openeye Name: 2-phenoxyethyl 1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate CAS Name: 1-[3-(trifluoromethyl)phenyl]sulfonyl-4-piperidinecarboxylic acid 2-phenoxyethyl ester IUPAC Name: 2-phenoxyethyl 1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate Traditional Name: 1-[3-(trifluoromethyl)phenyl]sulfonylisonipecotic acid 2-phenoxyethyl ester Formula: C21H22F3NO5S MolecularWeight: 457.46329

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCCOC2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

C1CN(CCC1C(=O)OCCOC2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C21H22F3NO5S/c22-21(23,24)17-5-4-8-19(15-17)31(27,28)25-11-9-16(10-12-25)20(26)30-14-13-29-18-6-2-1-3-7-18/h1-8,15-16H,9-14H2