[7-(phenylmethyl)-3-thia-7-azabicyclo[3.3.1]nonan-9-yl] 4-chloranylbenzoate

Systemtic Name: [7-(phenylmethyl)-3-thia-7-azabicyclo[3.3.1]nonan-9-yl] 4-chloranylbenzoate Openeye Name: (7-benzyl-3-thia-7-azabicyclo[3.3.1]nonan-9-yl) 4-chlorobenzoate CAS Name: 4-chlorobenzoic 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) 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid (7-benzyl-3-thia-7-azabicyclo[3.3.1]nonan-9-yl) ester Formula: C21H22ClNO2S MolecularWeight: 387.92288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClNO2S/c22-19-8-6-16(7-9-19)21(24)25-20-17-11-23(12-18(20)14-26-13-17)10-15-4-2-1-3-5-15/h1-9,17-18,20H,10-14H2