N-(1-azabicyclo[3.3.1]nonan-5-ylmethyl)-4-azanyl-5-chloranyl-2-(2-methylsulfonylethoxy)benzamide

Systemtic Name: N-(1-azabicyclo[3.3.1]nonan-5-ylmethyl)-4-azanyl-5-chloranyl-2-(2-methylsulfonylethoxy)benzamide Openeye Name: 4-amino-N-(1-azabicyclo[3.3.1]nonan-5-ylmethyl)-5-chloro-2-(2-methylsulfonylethoxy)benzamide CAS Name: 4-amino-N-(1-azabicyclo[3.3.1]nonan-5-ylmethyl)-5-chloro-2-(2-methylsulfonylethoxy)benzamide IUPAC Name: 4-amino-N-(1-azabicyclo[3.3.1]nonan-5-ylmethyl)-5-chloro-2-(2-methylsulfonylethoxy)benzamide Traditional Name: 4-amino-N-(1-azabicyclo[3.3.1]nonan-5-ylmethyl)-5-chloro-2-(2-mesylethoxy)benzamide Formula: C19H28ClN3O4S MolecularWeight: 429.96132

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCOC1=CC(=C(C=C1C(=O)NCC23CCCN(C2)CCC3)Cl)N

Isomeric SMILES

CS(=O)(=O)CCOC1=CC(=C(C=C1C(=O)NCC23CCCN(C2)CCC3)Cl)N

InChI

InChI=1S/C19H28ClN3O4S/c1-28(25,26)9-8-27-17-11-16(21)15(20)10-14(17)18(24)22-12-19-4-2-6-23(13-19)7-3-5-19/h10-11H,2-9,12-13,21H2,1H3,(H,22,24)