[(2,6-dimethylpyridin-4-yl)-[2-oxidanylidene-3-(2-oxidanylideneazetidin-1-yl)cyclohexyl]methyl] 4-methylbenzenesulfonate

Systemtic Name: [(2,6-dimethylpyridin-4-yl)-[2-oxidanylidene-3-(2-oxidanylideneazetidin-1-yl)cyclohexyl]methyl] 4-methylbenzenesulfonate Openeye Name: [(2,6-dimethyl-4-pyridyl)-[2-oxo-3-(2-oxoazetidin-1-yl)cyclohexyl]methyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2,6-dimethyl-4-pyridinyl)-[2-oxo-3-(2-oxo-1-azetidinyl)cyclohexyl]methyl] ester IUPAC Name: [(2,6-dimethylpyridin-4-yl)-[2-oxo-3-(2-oxoazetidin-1-yl)cyclohexyl]methyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2,6-dimethyl-4-pyridyl)-[2-keto-3-(2-ketoazetidin-1-yl)cyclohexyl]methyl] ester Formula: C24H28N2O5S MolecularWeight: 456.55452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(C2CCCC(C2=O)N3CCC3=O)C4=CC(=NC(=C4)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC(C2CCCC(C2=O)N3CCC3=O)C4=CC(=NC(=C4)C)C

InChI

InChI=1S/C24H28N2O5S/c1-15-7-9-19(10-8-15)32(29,30)31-24(18-13-16(2)25-17(3)14-18)20-5-4-6-21(23(20)28)26-12-11-22(26)27/h7-10,13-14,20-21,24H,4-6,11-12H2,1-3H3