[3-[cyanomethyl(phenylcarbonyl)amino]cyclohexyl]methyl methanesulfonate

Systemtic Name: [3-[cyanomethyl(phenylcarbonyl)amino]cyclohexyl]methyl methanesulfonate Openeye Name: [3-[benzoyl(cyanomethyl)amino]cyclohexyl]methyl methanesulfonate CAS Name: methanesulfonic acid [3-[benzoyl(cyanomethyl)amino]cyclohexyl]methyl ester IUPAC Name: [3-[benzoyl(cyanomethyl)amino]cyclohexyl]methyl methanesulfonate Traditional Name: methanesulfonic acid [3-[benzoyl(cyanomethyl)amino]cyclohexyl]methyl ester Formula: C17H22N2O4S MolecularWeight: 350.43258

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OCC1CCCC(C1)N(CC#N)C(=O)C2=CC=CC=C2

Isomeric SMILES

CS(=O)(=O)OCC1CCCC(C1)N(CC#N)C(=O)C2=CC=CC=C2

InChI

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