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

Systemtic Name: (phenylmethyl) (2R)-2-cyano-3-(4-methylphenyl)sulfonyloxy-3-azabicyclo[2.2.1]hept-5-ene-2-carboximidate Openeye Name: benzyl (2R)-2-cyano-3-(p-tolylsulfonyloxy)-3-azabicyclo[2.2.1]hept-5-ene-2-carboximidate CAS Name: (2R)-2-cyano-3-(4-methylphenyl)sulfonyloxy-3-azabicyclo[2.2.1]hept-5-ene-2-carboximidic acid (phenylmethyl) ester IUPAC Name: benzyl (2R)-2-cyano-3-(4-methylphenyl)sulfonyloxy-3-azabicyclo[2.2.1]hept-5-ene-2-carboximidate Traditional Name: (2R)-2-cyano-3-tosyloxy-3-azabicyclo[2.2.1]hept-5-ene-2-carboximidic acid benzyl ester Formula: C22H21N3O4S MolecularWeight: 423.48484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)ON2C3CC(C2(C#N)C(=N)OCC4=CC=CC=C4)C=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)ON2C3CC([C@@]2(C#N)C(=N)OCC4=CC=CC=C4)C=C3

InChI

InChI=1S/C22H21N3O4S/c1-16-7-11-20(12-8-16)30(26,27)29-25-19-10-9-18(13-19)22(25,15-23)21(24)28-14-17-5-3-2-4-6-17/h2-12,18-19,24H,13-14H2,1H3/t18?,19?,22-/m0/s1