methyl 3-[2-(1-azabicyclo[2.2.2]oct-2-en-3-yl)furan-3-yl]benzenesulfonate

Systemtic Name: methyl 3-[2-(1-azabicyclo[2.2.2]oct-2-en-3-yl)furan-3-yl]benzenesulfonate Openeye Name: methyl 3-[2-(1-azabicyclo[2.2.2]oct-2-en-3-yl)-3-furyl]benzenesulfonate CAS Name: 3-[2-(1-azabicyclo[2.2.2]oct-2-en-3-yl)-3-furanyl]benzenesulfonic acid methyl ester IUPAC Name: methyl 3-[2-(1-azabicyclo[2.2.2]oct-2-en-3-yl)furan-3-yl]benzenesulfonate Traditional Name: 3-[2-(1-azabicyclo[2.2.2]oct-2-en-3-yl)-3-furyl]benzenesulfonic acid methyl ester Formula: C18H19NO4S MolecularWeight: 345.41276

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Descriptors Computed from Structure

Canonical SMILES:

COS(=O)(=O)C1=CC=CC(=C1)C2=C(OC=C2)C3=CN4CCC3CC4

Isomeric SMILES

COS(=O)(=O)C1=CC=CC(=C1)C2=C(OC=C2)C3=CN4CCC3CC4

InChI

InChI=1S/C18H19NO4S/c1-22-24(20,21)15-4-2-3-14(11-15)16-7-10-23-18(16)17-12-19-8-5-13(17)6-9-19/h2-4,7,10-13H,5-6,8-9H2,1H3