[(2R)-2-aminocarbonyl-2-cyano-3-azabicyclo[2.2.1]hept-5-en-3-yl] 4-methylbenzenesulfonate

Systemtic Name: [(2R)-2-aminocarbonyl-2-cyano-3-azabicyclo[2.2.1]hept-5-en-3-yl] 4-methylbenzenesulfonate Openeye Name: [(2R)-2-carbamoyl-2-cyano-3-azabicyclo[2.2.1]hept-5-en-3-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2R)-2-carbamoyl-2-cyano-3-azabicyclo[2.2.1]hept-5-en-3-yl] ester IUPAC Name: [(2R)-2-carbamoyl-2-cyano-3-azabicyclo[2.2.1]hept-5-en-3-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2R)-2-carbamoyl-2-cyano-3-azabicyclo[2.2.1]hept-5-en-3-yl] ester Formula: C15H15N3O4S MolecularWeight: 333.3623

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15N3O4S/c1-10-2-6-13(7-3-10)23(20,21)22-18-12-5-4-11(8-12)15(18,9-16)14(17)19/h2-7,11-12H,8H2,1H3,(H2,17,19)/t11?,12?,15-/m0/s1