sodium [1-(2-acetamido-1-oxidanyl-1-oxidanylidene-propan-2-yl)cyclohexyl]methanesulfonate

Systemtic Name: sodium [1-(2-acetamido-1-oxidanyl-1-oxidanylidene-propan-2-yl)cyclohexyl]methanesulfonate Openeye Name: sodium [1-(1-acetamido-2-hydroxy-1-methyl-2-oxo-ethyl)cyclohexyl]methanesulfonate CAS Name: sodium [1-(2-acetamido-1-hydroxy-1-oxopropan-2-yl)cyclohexyl]methanesulfonate IUPAC Name: sodium [1-(2-acetamido-1-hydroxy-1-oxopropan-2-yl)cyclohexyl]methanesulfonate Traditional Name: sodium [1-(1-acetamido-2-hydroxy-2-keto-1-methyl-ethyl)cyclohexyl]methanesulfonate Formula: C12H20NNaO6S MolecularWeight: 329.34507

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(C)(C(=O)O)C1(CCCCC1)CS(=O)(=O)[O-].[Na+]

Isomeric SMILES

CC(=O)NC(C)(C(=O)O)C1(CCCCC1)CS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C12H21NO6S.Na/c1-9(14)13-11(2,10(15)16)12(8-20(17,18)19)6-4-3-5-7-12;/h3-8H2,1-2H3,(H,13,14)(H,15,16)(H,17,18,19);/q;+1/p-1