ethyl 1-[4-methylsulfonyl-2-[[4-(trifluoromethyl)phenyl]carbonylamino]phenyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[4-methylsulfonyl-2-[[4-(trifluoromethyl)phenyl]carbonylamino]phenyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[4-methylsulfonyl-2-[[4-(trifluoromethyl)benzoyl]amino]phenyl]piperidine-4-carboxylate CAS Name: 1-[4-methylsulfonyl-2-[[oxo-[4-(trifluoromethyl)phenyl]methyl]amino]phenyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-methylsulfonyl-2-[[4-(trifluoromethyl)benzoyl]amino]phenyl]piperidine-4-carboxylate Traditional Name: 1-[4-mesyl-2-[[4-(trifluoromethyl)benzoyl]amino]phenyl]isonipecotic acid ethyl ester Formula: C23H25F3N2O5S MolecularWeight: 498.51521

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)C)NC(=O)C3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)C)NC(=O)C3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C23H25F3N2O5S/c1-3-33-22(30)16-10-12-28(13-11-16)20-9-8-18(34(2,31)32)14-19(20)27-21(29)15-4-6-17(7-5-15)23(24,25)26/h4-9,14,16H,3,10-13H2,1-2H3,(H,27,29)