[(1S,5R)-6-phenyl-6-pyridin-2-yl-3-bicyclo[3.1.0]hexanyl] 4-methylbenzenesulfonate

Systemtic Name: [(1S,5R)-6-phenyl-6-pyridin-2-yl-3-bicyclo[3.1.0]hexanyl] 4-methylbenzenesulfonate Openeye Name: [(1S,5R)-6-phenyl-6-(2-pyridyl)-3-bicyclo[3.1.0]hexanyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(1S,5R)-6-phenyl-6-(2-pyridinyl)-3-bicyclo[3.1.0]hexanyl] ester IUPAC Name: [(1S,5R)-6-phenyl-6-pyridin-2-yl-3-bicyclo[3.1.0]hexanyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(1S,5R)-6-phenyl-6-(2-pyridyl)-3-bicyclo[3.1.0]hexanyl] ester Formula: C24H23NO3S MolecularWeight: 405.50932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2CC3C(C2)C3(C4=CC=CC=C4)C5=CC=CC=N5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2C[C@@H]3[C@H](C2)C3(C4=CC=CC=C4)C5=CC=CC=N5

InChI

InChI=1S/C24H23NO3S/c1-17-10-12-20(13-11-17)29(26,27)28-19-15-21-22(16-19)24(21,18-7-3-2-4-8-18)23-9-5-6-14-25-23/h2-14,19,21-22H,15-16H2,1H3/t19?,21-,22+,24?