[1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] 1-(4-chlorophenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: [1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] 1-(4-chlorophenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [2-(1-adamantyl)-1-methyl-2-oxo-ethyl] 1-(4-chlorophenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-chlorophenyl)sulfonyl-4-piperidinecarboxylic acid [1-(1-adamantyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1-adamantyl)-1-oxopropan-2-yl] 1-(4-chlorophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(4-chlorophenyl)sulfonylisonipecotic acid [2-(1-adamantyl)-2-keto-1-methyl-ethyl] ester Formula: C25H32ClNO5S MolecularWeight: 494.04328

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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=C(C=C5)Cl

Isomeric SMILES

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

InChI

InChI=1S/C25H32ClNO5S/c1-16(23(28)25-13-17-10-18(14-25)12-19(11-17)15-25)32-24(29)20-6-8-27(9-7-20)33(30,31)22-4-2-21(26)3-5-22/h2-5,16-20H,6-15H2,1H3