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

Systemtic Name: ethyl 8-(phenylsulfonyl)-2-propyl-3-azabicyclo[2.2.2]oct-5-ene-3-carboxylate Openeye Name: ethyl 8-(benzenesulfonyl)-2-propyl-3-azabicyclo[2.2.2]oct-5-ene-3-carboxylate CAS Name: 8-(benzenesulfonyl)-2-propyl-3-azabicyclo[2.2.2]oct-5-ene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 8-(benzenesulfonyl)-2-propyl-3-azabicyclo[2.2.2]oct-5-ene-3-carboxylate Traditional Name: 8-besyl-2-propyl-3-azabicyclo[2.2.2]oct-5-ene-3-carboxylic acid ethyl ester Formula: C19H25NO4S MolecularWeight: 363.4711

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1C2CC(C(N1C(=O)OCC)C=C2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCCC1C2CC(C(N1C(=O)OCC)C=C2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H25NO4S/c1-3-8-16-14-11-12-17(20(16)19(21)24-4-2)18(13-14)25(22,23)15-9-6-5-7-10-15/h5-7,9-12,14,16-18H,3-4,8,13H2,1-2H3