(2,2-dicyano-3-azabicyclo[2.2.1]hept-5-en-3-yl) 4-methylbenzenesulfonate

Systemtic Name: (2,2-dicyano-3-azabicyclo[2.2.1]hept-5-en-3-yl) 4-methylbenzenesulfonate Openeye Name: (2,2-dicyano-3-azabicyclo[2.2.1]hept-5-en-3-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (2,2-dicyano-3-azabicyclo[2.2.1]hept-5-en-3-yl) ester IUPAC Name: (2,2-dicyano-3-azabicyclo[2.2.1]hept-5-en-3-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2,2-dicyano-3-azabicyclo[2.2.1]hept-5-en-3-yl) ester Formula: C15H13N3O3S MolecularWeight: 315.34702

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13N3O3S/c1-11-2-6-14(7-3-11)22(19,20)21-18-13-5-4-12(8-13)15(18,9-16)10-17/h2-7,12-13H,8H2,1H3