2-(1-adamantyl)-1-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-(1-adamantyl)-1-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-(1-adamantyl)-1-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]ethanone CAS Name: 2-(1-adamantyl)-1-[4-[2-(trifluoromethyl)phenyl]sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-(1-adamantyl)-1-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-(1-adamantyl)-1-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazino]ethanone Formula: C23H29F3N2O3S MolecularWeight: 470.54817

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CC23CC4CC(C2)CC(C4)C3)S(=O)(=O)C5=CC=CC=C5C(F)(F)F

Isomeric SMILES

C1CN(CCN1C(=O)CC23CC4CC(C2)CC(C4)C3)S(=O)(=O)C5=CC=CC=C5C(F)(F)F

InChI

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