N-(1-adamantyl)-1-[3-(trifluoromethyl)phenyl]sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(1-adamantyl)-1-[3-(trifluoromethyl)phenyl]sulfonyl-piperidine-4-carboxamide Openeye Name: N-(1-adamantyl)-1-[3-(trifluoromethyl)phenyl]sulfonyl-piperidine-4-carboxamide CAS Name: N-(1-adamantyl)-1-[3-(trifluoromethyl)phenyl]sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(1-adamantyl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide Traditional Name: N-(1-adamantyl)-1-[3-(trifluoromethyl)phenyl]sulfonyl-isonipecotamide Formula: C23H29F3N2O3S MolecularWeight: 470.54817

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC23CC4CC(C2)CC(C4)C3)S(=O)(=O)C5=CC=CC(=C5)C(F)(F)F

Isomeric SMILES

C1CN(CCC1C(=O)NC23CC4CC(C2)CC(C4)C3)S(=O)(=O)C5=CC=CC(=C5)C(F)(F)F

InChI

InChI=1S/C23H29F3N2O3S/c24-23(25,26)19-2-1-3-20(11-19)32(30,31)28-6-4-18(5-7-28)21(29)27-22-12-15-8-16(13-22)10-17(9-15)14-22/h1-3,11,15-18H,4-10,12-14H2,(H,27,29)