[1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate

Systemtic Name: [1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Openeye Name: [2-(1-adamantyl)-1-methyl-2-oxo-ethyl] 1-(2-thienylsulfonyl)piperidine-4-carboxylate CAS Name: 1-thiophen-2-ylsulfonyl-4-piperidinecarboxylic acid [1-(1-adamantyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1-adamantyl)-1-oxopropan-2-yl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Traditional Name: 1-(2-thienylsulfonyl)isonipecotic acid [2-(1-adamantyl)-2-keto-1-methyl-ethyl] ester Formula: C23H31NO5S2 MolecularWeight: 465.62594

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C12CC3CC(C1)CC(C3)C2)OC(=O)C4CCN(CC4)S(=O)(=O)C5=CC=CS5

Isomeric SMILES

CC(C(=O)C12CC3CC(C1)CC(C3)C2)OC(=O)C4CCN(CC4)S(=O)(=O)C5=CC=CS5

InChI

InChI=1S/C23H31NO5S2/c1-15(21(25)23-12-16-9-17(13-23)11-18(10-16)14-23)29-22(26)19-4-6-24(7-5-19)31(27,28)20-3-2-8-30-20/h2-3,8,15-19H,4-7,9-14H2,1H3