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

Systemtic Name: [[2-oxidanylidene-3-(2-oxidanylideneazetidin-1-yl)cyclohexyl]-(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl] 4-methylbenzenesulfonate Openeye Name: [[2-oxo-3-(2-oxoazetidin-1-yl)cyclohexyl]-[4-(4-pyridyl)thiazol-2-yl]methyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [[2-oxo-3-(2-oxo-1-azetidinyl)cyclohexyl]-(4-pyridin-4-yl-2-thiazolyl)methyl] ester IUPAC Name: [[2-oxo-3-(2-oxoazetidin-1-yl)cyclohexyl]-(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [[2-keto-3-(2-ketoazetidin-1-yl)cyclohexyl]-[4-(4-pyridyl)thiazol-2-yl]methyl] ester Formula: C25H25N3O5S2 MolecularWeight: 511.6131

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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=NC(=CS4)C5=CC=NC=C5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC(C2CCCC(C2=O)N3CCC3=O)C4=NC(=CS4)C5=CC=NC=C5

InChI

InChI=1S/C25H25N3O5S2/c1-16-5-7-18(8-6-16)35(31,32)33-24(25-27-20(15-34-25)17-9-12-26-13-10-17)19-3-2-4-21(23(19)30)28-14-11-22(28)29/h5-10,12-13,15,19,21,24H,2-4,11,14H2,1H3