[2-(1-adamantyl)-2-oxidanylidene-ethyl] 1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate CAS Name: 1-(4-fluorophenyl)sulfonyl-3-piperidinecarboxylic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate Traditional Name: 1-(4-fluorophenyl)sulfonylnipecotic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C24H30FNO5S MolecularWeight: 463.562103

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)OCC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)OCC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H30FNO5S/c25-20-3-5-21(6-4-20)32(29,30)26-7-1-2-19(14-26)23(28)31-15-22(27)24-11-16-8-17(12-24)10-18(9-16)13-24/h3-6,16-19H,1-2,7-15H2