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

Systemtic Name: 2-(3-methylphenoxy)ethyl 1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate Openeye Name: 2-(3-methylphenoxy)ethyl 1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate CAS Name: 1-[2-(trifluoromethyl)phenyl]sulfonyl-4-piperidinecarboxylic acid 2-(3-methylphenoxy)ethyl ester IUPAC Name: 2-(3-methylphenoxy)ethyl 1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate Traditional Name: 1-[2-(trifluoromethyl)phenyl]sulfonylisonipecotic acid 2-(3-methylphenoxy)ethyl ester Formula: C22H24F3NO5S MolecularWeight: 471.48987

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCOC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(F)(F)F

Isomeric SMILES

CC1=CC(=CC=C1)OCCOC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C22H24F3NO5S/c1-16-5-4-6-18(15-16)30-13-14-31-21(27)17-9-11-26(12-10-17)32(28,29)20-8-3-2-7-19(20)22(23,24)25/h2-8,15,17H,9-14H2,1H3