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

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-fluorophenyl)sulfonyl-4-piperidinecarboxylic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(4-fluorophenyl)sulfonylisonipecotic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C24H31FN2O5S MolecularWeight: 478.576743

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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=C(C=C5)F

Isomeric SMILES

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

InChI

InChI=1S/C24H31FN2O5S/c25-20-1-3-21(4-2-20)33(30,31)27-7-5-19(6-8-27)23(29)32-15-22(28)26-24-12-16-9-17(13-24)11-18(10-16)14-24/h1-4,16-19H,5-15H2,(H,26,28)