diethyl 2-(4-methylphenyl)sulfonyl-2-azabicyclo[2.2.1]heptane-5,5-dicarboxylate

Systemtic Name: diethyl 2-(4-methylphenyl)sulfonyl-2-azabicyclo[2.2.1]heptane-5,5-dicarboxylate Openeye Name: diethyl 2-(p-tolylsulfonyl)-2-azabicyclo[2.2.1]heptane-5,5-dicarboxylate CAS Name: 2-(4-methylphenyl)sulfonyl-2-azabicyclo[2.2.1]heptane-5,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-(4-methylphenyl)sulfonyl-2-azabicyclo[2.2.1]heptane-5,5-dicarboxylate Traditional Name: 2-tosyl-2-azabicyclo[2.2.1]heptane-5,5-dicarboxylic acid diethyl ester Formula: C19H25NO6S MolecularWeight: 395.4699

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC2CC1CN2S(=O)(=O)C3=CC=C(C=C3)C)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1(CC2CC1CN2S(=O)(=O)C3=CC=C(C=C3)C)C(=O)OCC

InChI

InChI=1S/C19H25NO6S/c1-4-25-17(21)19(18(22)26-5-2)11-15-10-14(19)12-20(15)27(23,24)16-8-6-13(3)7-9-16/h6-9,14-15H,4-5,10-12H2,1-3H3