[7-(2-phenylmethoxypropyl)-3-thia-7-azabicyclo[3.3.1]nonan-9-yl] 4-chloranylbenzoate

Systemtic Name: [7-(2-phenylmethoxypropyl)-3-thia-7-azabicyclo[3.3.1]nonan-9-yl] 4-chloranylbenzoate Openeye Name: [7-(2-benzyloxypropyl)-3-thia-7-azabicyclo[3.3.1]nonan-9-yl] 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid [7-(2-phenylmethoxypropyl)-3-thia-7-azabicyclo[3.3.1]nonan-9-yl] ester IUPAC Name: [7-(2-phenylmethoxypropyl)-3-thia-7-azabicyclo[3.3.1]nonan-9-yl] 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [7-(2-benzoxypropyl)-3-thia-7-azabicyclo[3.3.1]nonan-9-yl] ester Formula: C24H28ClNO3S MolecularWeight: 446.00202

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1CC2CSCC(C1)C2OC(=O)C3=CC=C(C=C3)Cl)OCC4=CC=CC=C4

Isomeric SMILES

CC(CN1CC2CSCC(C1)C2OC(=O)C3=CC=C(C=C3)Cl)OCC4=CC=CC=C4

InChI

InChI=1S/C24H28ClNO3S/c1-17(28-14-18-5-3-2-4-6-18)11-26-12-20-15-30-16-21(13-26)23(20)29-24(27)19-7-9-22(25)10-8-19/h2-10,17,20-21,23H,11-16H2,1H3