methyl (2R)-2-cyano-3-(4-methylphenyl)sulfonyloxy-3-azabicyclo[2.2.1]hept-5-ene-2-carboxylate

Systemtic Name: methyl (2R)-2-cyano-3-(4-methylphenyl)sulfonyloxy-3-azabicyclo[2.2.1]hept-5-ene-2-carboxylate Openeye Name: methyl (2R)-2-cyano-3-(p-tolylsulfonyloxy)-3-azabicyclo[2.2.1]hept-5-ene-2-carboxylate CAS Name: (2R)-2-cyano-3-(4-methylphenyl)sulfonyloxy-3-azabicyclo[2.2.1]hept-5-ene-2-carboxylic acid methyl ester IUPAC Name: methyl (2R)-2-cyano-3-(4-methylphenyl)sulfonyloxy-3-azabicyclo[2.2.1]hept-5-ene-2-carboxylate Traditional Name: (2R)-2-cyano-3-tosyloxy-3-azabicyclo[2.2.1]hept-5-ene-2-carboxylic acid methyl ester Formula: C16H16N2O5S MolecularWeight: 348.37364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)ON2C3CC(C2(C#N)C(=O)OC)C=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)ON2C3CC([C@@]2(C#N)C(=O)OC)C=C3

InChI

InChI=1S/C16H16N2O5S/c1-11-3-7-14(8-4-11)24(20,21)23-18-13-6-5-12(9-13)16(18,10-17)15(19)22-2/h3-8,12-13H,9H2,1-2H3/t12?,13?,16-/m0/s1