(2-methoxyphenyl)methyl 1-[4-chloranyl-3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate

Systemtic Name: (2-methoxyphenyl)methyl 1-[4-chloranyl-3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate Openeye Name: (2-methoxyphenyl)methyl 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate CAS Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-4-piperidinecarboxylic acid (2-methoxyphenyl)methyl ester IUPAC Name: (2-methoxyphenyl)methyl 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate Traditional Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylisonipecotic acid o-anisyl ester Formula: C21H21ClF3NO5S MolecularWeight: 491.90835

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)Cl)C(F)(F)F

Isomeric SMILES

COC1=CC=CC=C1COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)Cl)C(F)(F)F

InChI

InChI=1S/C21H21ClF3NO5S/c1-30-19-5-3-2-4-15(19)13-31-20(27)14-8-10-26(11-9-14)32(28,29)16-6-7-18(22)17(12-16)21(23,24)25/h2-7,12,14H,8-11,13H2,1H3