1-(1-adamantyl)-3-[[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-2-yl]methyl]urea

Systemtic Name: 1-(1-adamantyl)-3-[[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-2-yl]methyl]urea Openeye Name: 1-(1-adamantyl)-3-[[1-[4-(trifluoromethyl)phenyl]sulfonyl-2-piperidyl]methyl]urea CAS Name: 1-(1-adamantyl)-3-[[1-[4-(trifluoromethyl)phenyl]sulfonyl-2-piperidinyl]methyl]urea IUPAC Name: 1-(1-adamantyl)-3-[[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-2-yl]methyl]urea Traditional Name: 1-(1-adamantyl)-3-[[1-[4-(trifluoromethyl)phenyl]sulfonyl-2-piperidyl]methyl]urea Formula: C24H32F3N3O3S MolecularWeight: 499.58939

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)CNC(=O)NC23CC4CC(C2)CC(C4)C3)S(=O)(=O)C5=CC=C(C=C5)C(F)(F)F

Isomeric SMILES

C1CCN(C(C1)CNC(=O)NC23CC4CC(C2)CC(C4)C3)S(=O)(=O)C5=CC=C(C=C5)C(F)(F)F

InChI

InChI=1S/C24H32F3N3O3S/c25-24(26,27)19-4-6-21(7-5-19)34(32,33)30-8-2-1-3-20(30)15-28-22(31)29-23-12-16-9-17(13-23)11-18(10-16)14-23/h4-7,16-18,20H,1-3,8-15H2,(H2,28,29,31)