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

Systemtic Name: phenyl (1S,5S)-4-azabicyclo[3.2.1]octa-2,6-diene-4-sulfonate Openeye Name: phenyl (1S,5S)-4-azabicyclo[3.2.1]octa-2,6-diene-4-sulfonate CAS Name: (1S,5S)-4-azabicyclo[3.2.1]octa-2,6-diene-4-sulfonic acid phenyl ester IUPAC Name: phenyl (1S,5S)-4-azabicyclo[3.2.1]octa-2,6-diene-4-sulfonate Traditional Name: (1S,5S)-4-azabicyclo[3.2.1]octa-2,6-diene-4-sulfonic acid phenyl ester Formula: C13H13NO3S MolecularWeight: 263.31222

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Descriptors Computed from Structure

Canonical SMILES:

C1C2C=CC1N(C=C2)S(=O)(=O)OC3=CC=CC=C3

Isomeric SMILES

C1[C@H]2C=C[C@H]1N(C=C2)S(=O)(=O)OC3=CC=CC=C3

InChI

InChI=1S/C13H13NO3S/c15-18(16,17-13-4-2-1-3-5-13)14-9-8-11-6-7-12(14)10-11/h1-9,11-12H,10H2/t11-,12+/m0/s1