ethyl 2-methyl-8-(phenylsulfonyl)-3-azabicyclo[2.2.2]oct-5-ene-3-carboxylate

Systemtic Name: ethyl 2-methyl-8-(phenylsulfonyl)-3-azabicyclo[2.2.2]oct-5-ene-3-carboxylate Openeye Name: ethyl 8-(benzenesulfonyl)-2-methyl-3-azabicyclo[2.2.2]oct-5-ene-3-carboxylate CAS Name: 8-(benzenesulfonyl)-2-methyl-3-azabicyclo[2.2.2]oct-5-ene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 8-(benzenesulfonyl)-2-methyl-3-azabicyclo[2.2.2]oct-5-ene-3-carboxylate Traditional Name: 8-besyl-2-methyl-3-azabicyclo[2.2.2]oct-5-ene-3-carboxylic acid ethyl ester Formula: C17H21NO4S MolecularWeight: 335.41794

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1C(C2CC(C1C=C2)S(=O)(=O)C3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)N1C(C2CC(C1C=C2)S(=O)(=O)C3=CC=CC=C3)C

InChI

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