dipropan-2-yl 5-(4-methylphenyl)sulfonyloxy-6-oxidanyl-2,3-diazabicyclo[2.2.2]octane-2,3-dicarboxylate

Systemtic Name: dipropan-2-yl 5-(4-methylphenyl)sulfonyloxy-6-oxidanyl-2,3-diazabicyclo[2.2.2]octane-2,3-dicarboxylate Openeye Name: diisopropyl 6-hydroxy-5-(p-tolylsulfonyloxy)-2,3-diazabicyclo[2.2.2]octane-2,3-dicarboxylate CAS Name: 6-hydroxy-5-(4-methylphenyl)sulfonyloxy-2,3-diazabicyclo[2.2.2]octane-2,3-dicarboxylic acid dipropan-2-yl ester IUPAC Name: dipropan-2-yl 6-hydroxy-5-(4-methylphenyl)sulfonyloxy-2,3-diazabicyclo[2.2.2]octane-2,3-dicarboxylate Traditional Name: 6-hydroxy-5-tosyloxy-2,3-diazabicyclo[2.2.2]octane-2,3-dicarboxylic acid diisopropyl ester Formula: C21H30N2O8S MolecularWeight: 470.5365

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2C3CCC(C2O)N(N3C(=O)OC(C)C)C(=O)OC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2C3CCC(C2O)N(N3C(=O)OC(C)C)C(=O)OC(C)C

InChI

InChI=1S/C21H30N2O8S/c1-12(2)29-20(25)22-16-10-11-17(23(22)21(26)30-13(3)4)19(18(16)24)31-32(27,28)15-8-6-14(5)7-9-15/h6-9,12-13,16-19,24H,10-11H2,1-5H3