2-(4-methylphenyl)sulfonyl-2-azabicyclo[2.2.1]heptane-5,5-dicarboxylic acid

Systemtic Name: 2-(4-methylphenyl)sulfonyl-2-azabicyclo[2.2.1]heptane-5,5-dicarboxylic acid Openeye Name: 2-(p-tolylsulfonyl)-2-azabicyclo[2.2.1]heptane-5,5-dicarboxylic acid CAS Name: 2-(4-methylphenyl)sulfonyl-2-azabicyclo[2.2.1]heptane-5,5-dicarboxylic acid IUPAC Name: 2-(4-methylphenyl)sulfonyl-2-azabicyclo[2.2.1]heptane-5,5-dicarboxylic acid Traditional Name: 2-tosyl-2-azabicyclo[2.2.1]heptane-5,5-dicarboxylic acid Formula: C15H17NO6S MolecularWeight: 339.36358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC3CC2CC3(C(=O)O)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC3CC2CC3(C(=O)O)C(=O)O

InChI

InChI=1S/C15H17NO6S/c1-9-2-4-12(5-3-9)23(21,22)16-8-10-6-11(16)7-15(10,13(17)18)14(19)20/h2-5,10-11H,6-8H2,1H3,(H,17,18)(H,19,20)