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

Systemtic Name: [(2-chloranylpyridin-4-yl)-[2-oxidanylidene-3-(2-oxidanylideneazetidin-1-yl)cyclohexyl]methyl] 4-methylbenzenesulfonate Openeye Name: [(2-chloro-4-pyridyl)-[2-oxo-3-(2-oxoazetidin-1-yl)cyclohexyl]methyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2-chloro-4-pyridinyl)-[2-oxo-3-(2-oxo-1-azetidinyl)cyclohexyl]methyl] ester IUPAC Name: [(2-chloropyridin-4-yl)-[2-oxo-3-(2-oxoazetidin-1-yl)cyclohexyl]methyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2-chloro-4-pyridyl)-[2-keto-3-(2-ketoazetidin-1-yl)cyclohexyl]methyl] ester Formula: C22H23ClN2O5S MolecularWeight: 462.94642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23ClN2O5S/c1-14-5-7-16(8-6-14)31(28,29)30-22(15-9-11-24-19(23)13-15)17-3-2-4-18(21(17)27)25-12-10-20(25)26/h5-9,11,13,17-18,22H,2-4,10,12H2,1H3