methyl 2-ethanoyl-7-(4-methylphenyl)sulfonyl-7-azabicyclo[2.2.1]heptane-3-carboxylate

Systemtic Name: methyl 2-ethanoyl-7-(4-methylphenyl)sulfonyl-7-azabicyclo[2.2.1]heptane-3-carboxylate Openeye Name: methyl 2-acetyl-7-(p-tolylsulfonyl)-7-azabicyclo[2.2.1]heptane-3-carboxylate CAS Name: 2-acetyl-7-(4-methylphenyl)sulfonyl-7-azabicyclo[2.2.1]heptane-3-carboxylic acid methyl ester IUPAC Name: methyl 2-acetyl-7-(4-methylphenyl)sulfonyl-7-azabicyclo[2.2.1]heptane-3-carboxylate Traditional Name: 2-acetyl-7-tosyl-7-azabicyclo[2.2.1]heptane-3-carboxylic acid methyl ester Formula: C17H21NO5S MolecularWeight: 351.41734

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21NO5S/c1-10-4-6-12(7-5-10)24(21,22)18-13-8-9-14(18)16(17(20)23-3)15(13)11(2)19/h4-7,13-16H,8-9H2,1-3H3