2-methoxy-5-methylsulfonyl-N-[9-(phenylmethyl)-3-thia-9-azabicyclo[3.3.1]nonan-7-yl]benzamide

Systemtic Name: 2-methoxy-5-methylsulfonyl-N-[9-(phenylmethyl)-3-thia-9-azabicyclo[3.3.1]nonan-7-yl]benzamide Openeye Name: N-(9-benzyl-3-thia-9-azabicyclo[3.3.1]nonan-7-yl)-2-methoxy-5-methylsulfonyl-benzamide CAS Name: 2-methoxy-5-methylsulfonyl-N-[9-(phenylmethyl)-3-thia-9-azabicyclo[3.3.1]nonan-7-yl]benzamide IUPAC Name: N-(9-benzyl-3-thia-9-azabicyclo[3.3.1]nonan-7-yl)-2-methoxy-5-methylsulfonylbenzamide Traditional Name: N-(9-benzyl-3-thia-9-azabicyclo[3.3.1]nonan-7-yl)-5-mesyl-2-methoxy-benzamide Formula: C23H28N2O4S2 MolecularWeight: 460.60942

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)NC2CC3CSCC(C2)N3CC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)NC2CC3CSCC(C2)N3CC4=CC=CC=C4

InChI

InChI=1S/C23H28N2O4S2/c1-29-22-9-8-20(31(2,27)28)12-21(22)23(26)24-17-10-18-14-30-15-19(11-17)25(18)13-16-6-4-3-5-7-16/h3-9,12,17-19H,10-11,13-15H2,1-2H3,(H,24,26)