(2S,3R)-2-(4-methylsulfonylpiperazin-1-yl)carbonylbicyclo[2.2.2]octane-3-carboxylate

Systemtic Name: (2S,3R)-2-(4-methylsulfonylpiperazin-1-yl)carbonylbicyclo[2.2.2]octane-3-carboxylate Openeye Name: (2S,3R)-2-(4-methylsulfonylpiperazine-1-carbonyl)bicyclo[2.2.2]octane-3-carboxylate CAS Name: (2S,3R)-2-[(4-methylsulfonyl-1-piperazinyl)-oxomethyl]-3-bicyclo[2.2.2]octanecarboxylate IUPAC Name: (2S,3R)-2-(4-methylsulfonylpiperazine-1-carbonyl)bicyclo[2.2.2]octane-3-carboxylate Traditional Name: (2S,3R)-2-(4-mesylpiperazine-1-carbonyl)bicyclo[2.2.2]octane-3-carboxylate Formula: C15H23N2O5S- MolecularWeight: 343.41852

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C(=O)C2C3CCC(C2C(=O)[O-])CC3

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C(=O)[C@@H]2[C@@H](C3CCC2CC3)C(=O)[O-]

InChI

InChI=1S/C15H24N2O5S/c1-23(21,22)17-8-6-16(7-9-17)14(18)12-10-2-4-11(5-3-10)13(12)15(19)20/h10-13H,2-9H2,1H3,(H,19,20)/p-1/t10?,11?,12-,13+/m0/s1