(4-methylphenyl) (1R,5R)-4-azabicyclo[3.2.1]octa-2,6-diene-4-sulfonate

Systemtic Name: (4-methylphenyl) (1R,5R)-4-azabicyclo[3.2.1]octa-2,6-diene-4-sulfonate Openeye Name: p-tolyl (1R,5R)-4-azabicyclo[3.2.1]octa-2,6-diene-4-sulfonate CAS Name: (1R,5R)-4-azabicyclo[3.2.1]octa-2,6-diene-4-sulfonic acid (4-methylphenyl) ester IUPAC Name: (4-methylphenyl) (1R,5R)-4-azabicyclo[3.2.1]octa-2,6-diene-4-sulfonate Traditional Name: (1R,5R)-4-azabicyclo[3.2.1]octa-2,6-diene-4-sulfonic acid p-tolyl ester Formula: C14H15NO3S MolecularWeight: 277.3388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OS(=O)(=O)N2C=CC3CC2C=C3

Isomeric SMILES

CC1=CC=C(C=C1)OS(=O)(=O)N2C=C[C@@H]3C[C@@H]2C=C3

InChI

InChI=1S/C14H15NO3S/c1-11-2-6-14(7-3-11)18-19(16,17)15-9-8-12-4-5-13(15)10-12/h2-9,12-13H,10H2,1H3/t12-,13+/m1/s1