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

Systemtic Name: 2-(3-bromanylphenoxy)ethyl 1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate Openeye Name: 2-(3-bromophenoxy)ethyl 1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate CAS Name: 1-[2-(trifluoromethyl)phenyl]sulfonyl-4-piperidinecarboxylic acid 2-(3-bromophenoxy)ethyl ester IUPAC Name: 2-(3-bromophenoxy)ethyl 1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate Traditional Name: 1-[2-(trifluoromethyl)phenyl]sulfonylisonipecotic acid 2-(3-bromophenoxy)ethyl ester Formula: C21H21BrF3NO5S MolecularWeight: 536.35935

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCCOC2=CC(=CC=C2)Br)S(=O)(=O)C3=CC=CC=C3C(F)(F)F

Isomeric SMILES

C1CN(CCC1C(=O)OCCOC2=CC(=CC=C2)Br)S(=O)(=O)C3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C21H21BrF3NO5S/c22-16-4-3-5-17(14-16)30-12-13-31-20(27)15-8-10-26(11-9-15)32(28,29)19-7-2-1-6-18(19)21(23,24)25/h1-7,14-15H,8-13H2