[(1S,2S)-2-[cyanomethyl(phenylcarbonyl)amino]cyclohexyl]methyl methanesulfonate

Systemtic Name: [(1S,2S)-2-[cyanomethyl(phenylcarbonyl)amino]cyclohexyl]methyl methanesulfonate Openeye Name: [(1S,2S)-2-[benzoyl(cyanomethyl)amino]cyclohexyl]methyl methanesulfonate CAS Name: methanesulfonic acid [(1S,2S)-2-[benzoyl(cyanomethyl)amino]cyclohexyl]methyl ester IUPAC Name: [(1S,2S)-2-[benzoyl(cyanomethyl)amino]cyclohexyl]methyl methanesulfonate Traditional Name: methanesulfonic acid [(1S,2S)-2-[benzoyl(cyanomethyl)amino]cyclohexyl]methyl ester Formula: C17H22N2O4S MolecularWeight: 350.43258

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OCC1CCCCC1N(CC#N)C(=O)C2=CC=CC=C2

Isomeric SMILES

CS(=O)(=O)OC[C@H]1CCCC[C@@H]1N(CC#N)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C17H22N2O4S/c1-24(21,22)23-13-15-9-5-6-10-16(15)19(12-11-18)17(20)14-7-3-2-4-8-14/h2-4,7-8,15-16H,5-6,9-10,12-13H2,1H3/t15-,16+/m1/s1