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

Systemtic Name: [(1S,3R,4S)-3-(6-chloranylpyridin-3-yl)-4-oxidanyl-cyclohexyl] methanesulfonate Openeye Name: [(1S,3R,4S)-3-(6-chloro-3-pyridyl)-4-hydroxy-cyclohexyl] methanesulfonate CAS Name: methanesulfonic acid [(1S,3R,4S)-3-(6-chloro-3-pyridinyl)-4-hydroxycyclohexyl] ester IUPAC Name: [(1S,3R,4S)-3-(6-chloropyridin-3-yl)-4-hydroxycyclohexyl] methanesulfonate Traditional Name: methanesulfonic acid [(1S,3R,4S)-3-(6-chloro-3-pyridyl)-4-hydroxy-cyclohexyl] ester Formula: C12H16ClNO4S MolecularWeight: 305.77774

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1CCC(C(C1)C2=CN=C(C=C2)Cl)O

Isomeric SMILES

CS(=O)(=O)O[C@H]1CC[C@@H]([C@H](C1)C2=CN=C(C=C2)Cl)O

InChI

InChI=1S/C12H16ClNO4S/c1-19(16,17)18-9-3-4-11(15)10(6-9)8-2-5-12(13)14-7-8/h2,5,7,9-11,15H,3-4,6H2,1H3/t9-,10+,11-/m0/s1