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

Systemtic Name: [[2-oxidanylidene-3-(2-oxidanylideneazetidin-1-yl)cyclohexyl]-(3-pyridin-4-ylphenyl)methyl] 4-methylbenzenesulfonate Openeye Name: [[2-oxo-3-(2-oxoazetidin-1-yl)cyclohexyl]-[3-(4-pyridyl)phenyl]methyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [[2-oxo-3-(2-oxo-1-azetidinyl)cyclohexyl]-(3-pyridin-4-ylphenyl)methyl] ester IUPAC Name: [[2-oxo-3-(2-oxoazetidin-1-yl)cyclohexyl]-(3-pyridin-4-ylphenyl)methyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [[2-keto-3-(2-ketoazetidin-1-yl)cyclohexyl]-[3-(4-pyridyl)phenyl]methyl] ester Formula: C28H28N2O5S MolecularWeight: 504.59732

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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=CC(=C4)C5=CC=NC=C5

Isomeric SMILES

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

InChI

InChI=1S/C28H28N2O5S/c1-19-8-10-23(11-9-19)36(33,34)35-28(22-5-2-4-21(18-22)20-12-15-29-16-13-20)24-6-3-7-25(27(24)32)30-17-14-26(30)31/h2,4-5,8-13,15-16,18,24-25,28H,3,6-7,14,17H2,1H3