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

Systemtic Name: 2-ethyl-3-(4-methylphenyl)sulfonyl-3-azabicyclo[2.2.2]oct-5-ene Openeye Name: 2-ethyl-3-(p-tolylsulfonyl)-3-azabicyclo[2.2.2]oct-5-ene CAS Name: 2-ethyl-3-(4-methylphenyl)sulfonyl-3-azabicyclo[2.2.2]oct-5-ene IUPAC Name: 2-ethyl-3-(4-methylphenyl)sulfonyl-3-azabicyclo[2.2.2]oct-5-ene Traditional Name: 2-ethyl-3-tosyl-3-azabicyclo[2.2.2]oct-5-ene Formula: C16H21NO2S MolecularWeight: 291.40844

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C2CCC(N1S(=O)(=O)C3=CC=C(C=C3)C)C=C2

Isomeric SMILES

CCC1C2CCC(N1S(=O)(=O)C3=CC=C(C=C3)C)C=C2

InChI

InChI=1S/C16H21NO2S/c1-3-16-13-6-8-14(9-7-13)17(16)20(18,19)15-10-4-12(2)5-11-15/h4-6,8,10-11,13-14,16H,3,7,9H2,1-2H3