N-heptan-2-yl-1-[3-(trifluoromethyloxy)phenyl]sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-heptan-2-yl-1-[3-(trifluoromethyloxy)phenyl]sulfonyl-piperidine-4-carboxamide Openeye Name: N-(1-methylhexyl)-1-[3-(trifluoromethoxy)phenyl]sulfonyl-piperidine-4-carboxamide CAS Name: N-heptan-2-yl-1-[3-(trifluoromethoxy)phenyl]sulfonyl-4-piperidinecarboxamide IUPAC Name: N-heptan-2-yl-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide Traditional Name: N-(1-methylhexyl)-1-[3-(trifluoromethoxy)phenyl]sulfonyl-isonipecotamide Formula: C20H29F3N2O4S MolecularWeight: 450.51547

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)OC(F)(F)F

Isomeric SMILES

CCCCCC(C)NC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)OC(F)(F)F

InChI

InChI=1S/C20H29F3N2O4S/c1-3-4-5-7-15(2)24-19(26)16-10-12-25(13-11-16)30(27,28)18-9-6-8-17(14-18)29-20(21,22)23/h6,8-9,14-16H,3-5,7,10-13H2,1-2H3,(H,24,26)