[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate CAS Name: 1-[2-(trifluoromethyl)phenyl]sulfonyl-4-piperidinecarboxylic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate Traditional Name: 1-[2-(trifluoromethyl)phenyl]sulfonylisonipecotic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C25H31F3N2O5S MolecularWeight: 528.58425

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC(=O)NC23CC4CC(C2)CC(C4)C3)S(=O)(=O)C5=CC=CC=C5C(F)(F)F

Isomeric SMILES

C1CN(CCC1C(=O)OCC(=O)NC23CC4CC(C2)CC(C4)C3)S(=O)(=O)C5=CC=CC=C5C(F)(F)F

InChI

InChI=1S/C25H31F3N2O5S/c26-25(27,28)20-3-1-2-4-21(20)36(33,34)30-7-5-19(6-8-30)23(32)35-15-22(31)29-24-12-16-9-17(13-24)11-18(10-16)14-24/h1-4,16-19H,5-15H2,(H,29,31)