ethyl 3-(4-methylphenyl)sulfonyl-3-azabicyclo[2.2.2]oct-5-ene-2-carboxylate

Systemtic Name: ethyl 3-(4-methylphenyl)sulfonyl-3-azabicyclo[2.2.2]oct-5-ene-2-carboxylate Openeye Name: ethyl 3-(p-tolylsulfonyl)-3-azabicyclo[2.2.2]oct-5-ene-2-carboxylate CAS Name: 3-(4-methylphenyl)sulfonyl-3-azabicyclo[2.2.2]oct-5-ene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(4-methylphenyl)sulfonyl-3-azabicyclo[2.2.2]oct-5-ene-2-carboxylate Traditional Name: 3-tosyl-3-azabicyclo[2.2.2]oct-5-ene-2-carboxylic acid ethyl ester Formula: C17H21NO4S MolecularWeight: 335.41794

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C2CCC(N1S(=O)(=O)C3=CC=C(C=C3)C)C=C2

Isomeric SMILES

CCOC(=O)C1C2CCC(N1S(=O)(=O)C3=CC=C(C=C3)C)C=C2

InChI

InChI=1S/C17H21NO4S/c1-3-22-17(19)16-13-6-8-14(9-7-13)18(16)23(20,21)15-10-4-12(2)5-11-15/h4-6,8,10-11,13-14,16H,3,7,9H2,1-2H3