ethyl 1-[3,5-bis(trifluoromethyl)phenyl]sulfonylpiperidine-3-carboxylate

Systemtic Name: ethyl 1-[3,5-bis(trifluoromethyl)phenyl]sulfonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[3,5-bis(trifluoromethyl)phenyl]sulfonylpiperidine-3-carboxylate CAS Name: 1-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3,5-bis(trifluoromethyl)phenyl]sulfonylpiperidine-3-carboxylate Traditional Name: 1-[3,5-bis(trifluoromethyl)phenyl]sulfonylnipecotic acid ethyl ester Formula: C16H17F6NO4S MolecularWeight: 433.365899

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)S(=O)(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1CCCN(C1)S(=O)(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C16H17F6NO4S/c1-2-27-14(24)10-4-3-5-23(9-10)28(25,26)13-7-11(15(17,18)19)6-12(8-13)16(20,21)22/h6-8,10H,2-5,9H2,1H3