[(2-methylpyridin-4-yl)-[2-oxidanylidene-3-(2-oxidanylideneazetidin-1-yl)cyclohexyl]methyl] 4-methylbenzenesulfonate

Systemtic Name: [(2-methylpyridin-4-yl)-[2-oxidanylidene-3-(2-oxidanylideneazetidin-1-yl)cyclohexyl]methyl] 4-methylbenzenesulfonate Openeye Name: [(2-methyl-4-pyridyl)-[2-oxo-3-(2-oxoazetidin-1-yl)cyclohexyl]methyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2-methyl-4-pyridinyl)-[2-oxo-3-(2-oxo-1-azetidinyl)cyclohexyl]methyl] ester IUPAC Name: [(2-methylpyridin-4-yl)-[2-oxo-3-(2-oxoazetidin-1-yl)cyclohexyl]methyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [[2-keto-3-(2-ketoazetidin-1-yl)cyclohexyl]-(2-methyl-4-pyridyl)methyl] ester Formula: C23H26N2O5S MolecularWeight: 442.52794

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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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N2O5S/c1-15-6-8-18(9-7-15)31(28,29)30-23(17-10-12-24-16(2)14-17)19-4-3-5-20(22(19)27)25-13-11-21(25)26/h6-10,12,14,19-20,23H,3-5,11,13H2,1-2H3