(8,8-dicyano-1-azabicyclo[3.2.1]oct-6-en-2-yl) 4-methylbenzenesulfonate

Systemtic Name: (8,8-dicyano-1-azabicyclo[3.2.1]oct-6-en-2-yl) 4-methylbenzenesulfonate Openeye Name: (8,8-dicyano-1-azabicyclo[3.2.1]oct-6-en-2-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (8,8-dicyano-1-azabicyclo[3.2.1]oct-6-en-2-yl) ester IUPAC Name: (8,8-dicyano-1-azabicyclo[3.2.1]oct-6-en-2-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (8,8-dicyano-1-azabicyclo[3.2.1]oct-6-en-2-yl) ester Formula: C16H15N3O3S MolecularWeight: 329.3736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2CCC3C=CN2C3(C#N)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2CCC3C=CN2C3(C#N)C#N

InChI

InChI=1S/C16H15N3O3S/c1-12-2-5-14(6-3-12)23(20,21)22-15-7-4-13-8-9-19(15)16(13,10-17)11-18/h2-3,5-6,8-9,13,15H,4,7H2,1H3