dimethyl 7-(4-methylphenyl)sulfonyl-7-azabicyclo[2.2.1]heptane-2,3-dicarboxylate

Systemtic Name: dimethyl 7-(4-methylphenyl)sulfonyl-7-azabicyclo[2.2.1]heptane-2,3-dicarboxylate Openeye Name: dimethyl 7-(p-tolylsulfonyl)-7-azabicyclo[2.2.1]heptane-2,3-dicarboxylate CAS Name: 7-(4-methylphenyl)sulfonyl-7-azabicyclo[2.2.1]heptane-2,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 7-(4-methylphenyl)sulfonyl-7-azabicyclo[2.2.1]heptane-2,3-dicarboxylate Traditional Name: 7-tosyl-7-azabicyclo[2.2.1]heptane-2,3-dicarboxylic acid dimethyl ester Formula: C17H21NO6S MolecularWeight: 367.41674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C3CCC2C(C3C(=O)OC)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C3CCC2C(C3C(=O)OC)C(=O)OC

InChI

InChI=1S/C17H21NO6S/c1-10-4-6-11(7-5-10)25(21,22)18-12-8-9-13(18)15(17(20)24-3)14(12)16(19)23-2/h4-7,12-15H,8-9H2,1-3H3