N-[1-(1-adamantyl)ethyl]-1-[2-(trifluoromethyl)phenyl]sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[1-(1-adamantyl)ethyl]-1-[2-(trifluoromethyl)phenyl]sulfonyl-piperidine-4-carboxamide Openeye Name: N-[1-(1-adamantyl)ethyl]-1-[2-(trifluoromethyl)phenyl]sulfonyl-piperidine-4-carboxamide CAS Name: N-[1-(1-adamantyl)ethyl]-1-[2-(trifluoromethyl)phenyl]sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[1-(1-adamantyl)ethyl]-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide Traditional Name: N-[1-(1-adamantyl)ethyl]-1-[2-(trifluoromethyl)phenyl]sulfonyl-isonipecotamide Formula: C25H33F3N2O3S MolecularWeight: 498.60133

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Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)C4CCN(CC4)S(=O)(=O)C5=CC=CC=C5C(F)(F)F

Isomeric SMILES

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)C4CCN(CC4)S(=O)(=O)C5=CC=CC=C5C(F)(F)F

InChI

InChI=1S/C25H33F3N2O3S/c1-16(24-13-17-10-18(14-24)12-19(11-17)15-24)29-23(31)20-6-8-30(9-7-20)34(32,33)22-5-3-2-4-21(22)25(26,27)28/h2-5,16-20H,6-15H2,1H3,(H,29,31)