[2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl] 3-oxidanyladamantane-1-carboxylate

Systemtic Name: [2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl] 3-oxidanyladamantane-1-carboxylate Openeye Name: [2-(4-methylsulfonylpiperazin-1-yl)-2-oxo-ethyl] 3-hydroxyadamantane-1-carboxylate CAS Name: 3-hydroxy-1-adamantanecarboxylic acid [2-(4-methylsulfonyl-1-piperazinyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl] 3-hydroxyadamantane-1-carboxylate Traditional Name: 3-hydroxyadamantane-1-carboxylic acid [2-keto-2-(4-mesylpiperazino)ethyl] ester Formula: C18H28N2O6S MolecularWeight: 400.48972

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C(=O)COC(=O)C23CC4CC(C2)CC(C4)(C3)O

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C(=O)COC(=O)C23CC4CC(C2)CC(C4)(C3)O

InChI

InChI=1S/C18H28N2O6S/c1-27(24,25)20-4-2-19(3-5-20)15(21)11-26-16(22)17-7-13-6-14(8-17)10-18(23,9-13)12-17/h13-14,23H,2-12H2,1H3