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

Systemtic Name: (3S)-N-[2-(4-ethoxyphenoxy)-5-(trifluoromethyl)phenyl]-1-methylsulfonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-[2-(4-ethoxyphenoxy)-5-(trifluoromethyl)phenyl]-1-methylsulfonyl-piperidine-3-carboxamide CAS Name: (3S)-N-[2-(4-ethoxyphenoxy)-5-(trifluoromethyl)phenyl]-1-methylsulfonyl-3-piperidinecarboxamide IUPAC Name: (3S)-N-[2-(4-ethoxyphenoxy)-5-(trifluoromethyl)phenyl]-1-methylsulfonylpiperidine-3-carboxamide Traditional Name: (3S)-N-[2-(4-ethoxyphenoxy)-5-(trifluoromethyl)phenyl]-1-mesyl-nipecotamide Formula: C22H25F3N2O5S MolecularWeight: 486.50451

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)OC2=C(C=C(C=C2)C(F)(F)F)NC(=O)C3CCCN(C3)S(=O)(=O)C

Isomeric SMILES

CCOC1=CC=C(C=C1)OC2=C(C=C(C=C2)C(F)(F)F)NC(=O)[C@H]3CCCN(C3)S(=O)(=O)C

InChI

InChI=1S/C22H25F3N2O5S/c1-3-31-17-7-9-18(10-8-17)32-20-11-6-16(22(23,24)25)13-19(20)26-21(28)15-5-4-12-27(14-15)33(2,29)30/h6-11,13,15H,3-5,12,14H2,1-2H3,(H,26,28)/t15-/m0/s1