[7-(phenylmethyl)-3-thia-7-azabicyclo[3.3.1]nonan-9-yl] benzoate

Systemtic Name: [7-(phenylmethyl)-3-thia-7-azabicyclo[3.3.1]nonan-9-yl] benzoate Openeye Name: (7-benzyl-3-thia-7-azabicyclo[3.3.1]nonan-9-yl) benzoate CAS Name: benzoic acid [7-(phenylmethyl)-3-thia-7-azabicyclo[3.3.1]nonan-9-yl] ester IUPAC Name: (7-benzyl-3-thia-7-azabicyclo[3.3.1]nonan-9-yl) benzoate Traditional Name: benzoic acid (7-benzyl-3-thia-7-azabicyclo[3.3.1]nonan-9-yl) ester Formula: C21H23NO2S MolecularWeight: 353.47782

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CSCC(C2OC(=O)C3=CC=CC=C3)CN1CC4=CC=CC=C4

Isomeric SMILES

C1C2CSCC(C2OC(=O)C3=CC=CC=C3)CN1CC4=CC=CC=C4

InChI

InChI=1S/C21H23NO2S/c23-21(17-9-5-2-6-10-17)24-20-18-12-22(13-19(20)15-25-14-18)11-16-7-3-1-4-8-16/h1-10,18-20H,11-15H2