[1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxylate

Systemtic Name: [1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxylate Openeye Name: [2-(1-adamantyl)-1-methyl-2-oxo-ethyl] 1-(3,5-dimethylisoxazol-4-yl)sulfonylpiperidine-3-carboxylate CAS Name: 1-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-3-piperidinecarboxylic acid [1-(1-adamantyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1-adamantyl)-1-oxopropan-2-yl] 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxylate Traditional Name: 1-(3,5-dimethylisoxazol-4-yl)sulfonylnipecotic acid [2-(1-adamantyl)-2-keto-1-methyl-ethyl] ester Formula: C24H34N2O6S MolecularWeight: 478.60156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)S(=O)(=O)N2CCCC(C2)C(=O)OC(C)C(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=C(C(=NO1)C)S(=O)(=O)N2CCCC(C2)C(=O)OC(C)C(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H34N2O6S/c1-14-21(15(2)32-25-14)33(29,30)26-6-4-5-20(13-26)23(28)31-16(3)22(27)24-10-17-7-18(11-24)9-19(8-17)12-24/h16-20H,4-13H2,1-3H3