N-[2-(3-methoxyphenoxy)-5-(trifluoromethyl)phenyl]-1-methylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[2-(3-methoxyphenoxy)-5-(trifluoromethyl)phenyl]-1-methylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[2-(3-methoxyphenoxy)-5-(trifluoromethyl)phenyl]-1-methylsulfonyl-piperidine-4-carboxamide CAS Name: N-[2-(3-methoxyphenoxy)-5-(trifluoromethyl)phenyl]-1-methylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-[2-(3-methoxyphenoxy)-5-(trifluoromethyl)phenyl]-1-methylsulfonylpiperidine-4-carboxamide Traditional Name: 1-mesyl-N-[2-(3-methoxyphenoxy)-5-(trifluoromethyl)phenyl]isonipecotamide Formula: C21H23F3N2O5S MolecularWeight: 472.47793

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)NC(=O)C3CCN(CC3)S(=O)(=O)C

Isomeric SMILES

COC1=CC=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)NC(=O)C3CCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C21H23F3N2O5S/c1-30-16-4-3-5-17(13-16)31-19-7-6-15(21(22,23)24)12-18(19)25-20(27)14-8-10-26(11-9-14)32(2,28)29/h3-7,12-14H,8-11H2,1-2H3,(H,25,27)