[2-oxidanylidene-3-(phenylmethyl)-3-azabicyclo[2.2.1]heptan-5-yl] 4-methylbenzenesulfonate

Systemtic Name: [2-oxidanylidene-3-(phenylmethyl)-3-azabicyclo[2.2.1]heptan-5-yl] 4-methylbenzenesulfonate Openeye Name: (3-benzyl-2-oxo-3-azabicyclo[2.2.1]heptan-5-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-oxo-3-(phenylmethyl)-3-azabicyclo[2.2.1]heptan-5-yl] ester IUPAC Name: (3-benzyl-2-oxo-3-azabicyclo[2.2.1]heptan-5-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (3-benzyl-2-keto-3-azabicyclo[2.2.1]heptan-5-yl) ester Formula: C20H21NO4S MolecularWeight: 371.45004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2CC3CC2N(C3=O)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2CC3CC2N(C3=O)CC4=CC=CC=C4

InChI

InChI=1S/C20H21NO4S/c1-14-7-9-17(10-8-14)26(23,24)25-19-12-16-11-18(19)21(20(16)22)13-15-5-3-2-4-6-15/h2-10,16,18-19H,11-13H2,1H3