ethyl 1-(2-methoxy-5-methyl-phenyl)sulfonyl-4-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-(2-methoxy-5-methyl-phenyl)sulfonyl-4-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylate Openeye Name: ethyl 1-(2-methoxy-5-methyl-phenyl)sulfonyl-4-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylate CAS Name: 1-(2-methoxy-5-methylphenyl)sulfonyl-4-[[3-(trifluoromethyl)phenyl]methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2-methoxy-5-methylphenyl)sulfonyl-4-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylate Traditional Name: 1-(2-methoxy-5-methyl-phenyl)sulfonyl-4-[3-(trifluoromethyl)benzyl]isonipecotic acid ethyl ester Formula: C24H28F3NO5S MolecularWeight: 499.54303

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C)OC)CC3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C)OC)CC3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C24H28F3NO5S/c1-4-33-22(29)23(16-18-6-5-7-19(15-18)24(25,26)27)10-12-28(13-11-23)34(30,31)21-14-17(2)8-9-20(21)32-3/h5-9,14-15H,4,10-13,16H2,1-3H3