[3-(phenylmethyl)-3-azabicyclo[2.1.1]hexan-4-yl]methyl 4-methylbenzenesulfonate

Systemtic Name: [3-(phenylmethyl)-3-azabicyclo[2.1.1]hexan-4-yl]methyl 4-methylbenzenesulfonate Openeye Name: (3-benzyl-3-azabicyclo[2.1.1]hexan-4-yl)methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [3-(phenylmethyl)-3-azabicyclo[2.1.1]hexan-4-yl]methyl ester IUPAC Name: (3-benzyl-3-azabicyclo[2.1.1]hexan-4-yl)methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (3-benzyl-3-azabicyclo[2.1.1]hexan-4-yl)methyl ester Formula: C20H23NO3S MolecularWeight: 357.46652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC23CC(C2)CN3CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC23CC(C2)CN3CC4=CC=CC=C4

InChI

InChI=1S/C20H23NO3S/c1-16-7-9-19(10-8-16)25(22,23)24-15-20-11-18(12-20)14-21(20)13-17-5-3-2-4-6-17/h2-10,18H,11-15H2,1H3