[1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] 2-(4-piperidin-1-ylsulfonylphenyl)ethanoate

Systemtic Name: [1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] 2-(4-piperidin-1-ylsulfonylphenyl)ethanoate Openeye Name: [2-(1-adamantyl)-1-methyl-2-oxo-ethyl] 2-[4-(1-piperidylsulfonyl)phenyl]acetate CAS Name: 2-[4-(1-piperidinylsulfonyl)phenyl]acetic acid [1-(1-adamantyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1-adamantyl)-1-oxopropan-2-yl] 2-(4-piperidin-1-ylsulfonylphenyl)acetate Traditional Name: 2-(4-piperidinosulfonylphenyl)acetic acid [2-(1-adamantyl)-2-keto-1-methyl-ethyl] ester Formula: C26H35NO5S MolecularWeight: 473.6248

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C12CC3CC(C1)CC(C3)C2)OC(=O)CC4=CC=C(C=C4)S(=O)(=O)N5CCCCC5

Isomeric SMILES

CC(C(=O)C12CC3CC(C1)CC(C3)C2)OC(=O)CC4=CC=C(C=C4)S(=O)(=O)N5CCCCC5

InChI

InChI=1S/C26H35NO5S/c1-18(25(29)26-15-20-11-21(16-26)13-22(12-20)17-26)32-24(28)14-19-5-7-23(8-6-19)33(30,31)27-9-3-2-4-10-27/h5-8,18,20-22H,2-4,9-17H2,1H3