[(1R,2S,4R)-4-azanyl-2-(6-chloranylpyridin-3-yl)cyclohexyl] methanesulfonate

Systemtic Name: [(1R,2S,4R)-4-azanyl-2-(6-chloranylpyridin-3-yl)cyclohexyl] methanesulfonate Openeye Name: [(1R,2S,4R)-4-amino-2-(6-chloro-3-pyridyl)cyclohexyl] methanesulfonate CAS Name: methanesulfonic acid [(1R,2S,4R)-4-amino-2-(6-chloro-3-pyridinyl)cyclohexyl] ester IUPAC Name: [(1R,2S,4R)-4-amino-2-(6-chloropyridin-3-yl)cyclohexyl] methanesulfonate Traditional Name: methanesulfonic acid [(1R,2S,4R)-4-amino-2-(6-chloro-3-pyridyl)cyclohexyl] ester Formula: C12H17ClN2O3S MolecularWeight: 304.79298

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1CCC(CC1C2=CN=C(C=C2)Cl)N

Isomeric SMILES

CS(=O)(=O)O[C@@H]1CC[C@H](C[C@H]1C2=CN=C(C=C2)Cl)N

InChI

InChI=1S/C12H17ClN2O3S/c1-19(16,17)18-11-4-3-9(14)6-10(11)8-2-5-12(13)15-7-8/h2,5,7,9-11H,3-4,6,14H2,1H3/t9-,10+,11-/m1/s1