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

Systemtic Name: [1-benzofuran-2-yl-[2-oxidanylidene-3-(2-oxidanylideneazetidin-1-yl)cyclohexyl]methyl] 4-methylbenzenesulfonate Openeye Name: [benzofuran-2-yl-[2-oxo-3-(2-oxoazetidin-1-yl)cyclohexyl]methyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-benzofuranyl-[2-oxo-3-(2-oxo-1-azetidinyl)cyclohexyl]methyl] ester IUPAC Name: [1-benzofuran-2-yl-[2-oxo-3-(2-oxoazetidin-1-yl)cyclohexyl]methyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [benzofuran-2-yl-[2-keto-3-(2-ketoazetidin-1-yl)cyclohexyl]methyl] ester Formula: C25H25NO6S MolecularWeight: 467.5341

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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=CC5=CC=CC=C5O4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC(C2CCCC(C2=O)N3CCC3=O)C4=CC5=CC=CC=C5O4

InChI

InChI=1S/C25H25NO6S/c1-16-9-11-18(12-10-16)33(29,30)32-25(22-15-17-5-2-3-8-21(17)31-22)19-6-4-7-20(24(19)28)26-14-13-23(26)27/h2-3,5,8-12,15,19-20,25H,4,6-7,13-14H2,1H3