[[2-oxidanylidene-3-(2-oxidanylideneazetidin-1-yl)cyclohexyl]-pyridin-4-yl-methyl] methanesulfonate

Systemtic Name: [[2-oxidanylidene-3-(2-oxidanylideneazetidin-1-yl)cyclohexyl]-pyridin-4-yl-methyl] methanesulfonate Openeye Name: [[2-oxo-3-(2-oxoazetidin-1-yl)cyclohexyl]-(4-pyridyl)methyl] methanesulfonate CAS Name: methanesulfonic acid [[2-oxo-3-(2-oxo-1-azetidinyl)cyclohexyl]-pyridin-4-ylmethyl] ester IUPAC Name: [[2-oxo-3-(2-oxoazetidin-1-yl)cyclohexyl]-pyridin-4-ylmethyl] methanesulfonate Traditional Name: methanesulfonic acid [[2-keto-3-(2-ketoazetidin-1-yl)cyclohexyl]-(4-pyridyl)methyl] ester Formula: C16H20N2O5S MolecularWeight: 352.4054

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC(C1CCCC(C1=O)N2CCC2=O)C3=CC=NC=C3

Isomeric SMILES

CS(=O)(=O)OC(C1CCCC(C1=O)N2CCC2=O)C3=CC=NC=C3

InChI

InChI=1S/C16H20N2O5S/c1-24(21,22)23-16(11-5-8-17-9-6-11)12-3-2-4-13(15(12)20)18-10-7-14(18)19/h5-6,8-9,12-13,16H,2-4,7,10H2,1H3