[4-(3-bromanylpyridin-4-yl)-4-oxidanyl-cyclohexyl] methanesulfonate

Systemtic Name: [4-(3-bromanylpyridin-4-yl)-4-oxidanyl-cyclohexyl] methanesulfonate Openeye Name: [4-(3-bromo-4-pyridyl)-4-hydroxy-cyclohexyl] methanesulfonate CAS Name: methanesulfonic acid [4-(3-bromo-4-pyridinyl)-4-hydroxycyclohexyl] ester IUPAC Name: [4-(3-bromopyridin-4-yl)-4-hydroxycyclohexyl] methanesulfonate Traditional Name: methanesulfonic acid [4-(3-bromo-4-pyridyl)-4-hydroxy-cyclohexyl] ester Formula: C12H16BrNO4S MolecularWeight: 350.22874

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1CCC(CC1)(C2=C(C=NC=C2)Br)O

Isomeric SMILES

CS(=O)(=O)OC1CCC(CC1)(C2=C(C=NC=C2)Br)O

InChI

InChI=1S/C12H16BrNO4S/c1-19(16,17)18-9-2-5-12(15,6-3-9)10-4-7-14-8-11(10)13/h4,7-9,15H,2-3,5-6H2,1H3