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

Systemtic Name: [(1S,2R,4S)-4-azanyl-2-(6-methoxypyridin-3-yl)cyclohexyl] methanesulfonate Openeye Name: [(1S,2R,4S)-4-amino-2-(6-methoxy-3-pyridyl)cyclohexyl] methanesulfonate CAS Name: methanesulfonic acid [(1S,2R,4S)-4-amino-2-(6-methoxy-3-pyridinyl)cyclohexyl] ester IUPAC Name: [(1S,2R,4S)-4-amino-2-(6-methoxypyridin-3-yl)cyclohexyl] methanesulfonate Traditional Name: methanesulfonic acid [(1S,2R,4S)-4-amino-2-(6-methoxy-3-pyridyl)cyclohexyl] ester Formula: C13H20N2O4S MolecularWeight: 300.3739

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC=C(C=C1)C2CC(CCC2OS(=O)(=O)C)N

Isomeric SMILES

COC1=NC=C(C=C1)[C@H]2C[C@H](CC[C@@H]2OS(=O)(=O)C)N

InChI

InChI=1S/C13H20N2O4S/c1-18-13-6-3-9(8-15-13)11-7-10(14)4-5-12(11)19-20(2,16)17/h3,6,8,10-12H,4-5,7,14H2,1-2H3/t10-,11+,12-/m0/s1