2-[1-[6-(4-chlorophenyl)hexyl]-2-oxidanylidene-4-(phenylsulfonyl)azetidin-1-ium-1-yl]ethanamide

Systemtic Name: 2-[1-[6-(4-chlorophenyl)hexyl]-2-oxidanylidene-4-(phenylsulfonyl)azetidin-1-ium-1-yl]ethanamide Openeye Name: 2-[2-(benzenesulfonyl)-1-[6-(4-chlorophenyl)hexyl]-4-oxo-azetidin-1-ium-1-yl]acetamide CAS Name: 2-[2-(benzenesulfonyl)-1-[6-(4-chlorophenyl)hexyl]-4-oxo-1-azetidin-1-iumyl]acetamide IUPAC Name: 2-[2-(benzenesulfonyl)-1-[6-(4-chlorophenyl)hexyl]-4-oxoazetidin-1-ium-1-yl]acetamide Traditional Name: 2-[2-besyl-1-[6-(4-chlorophenyl)hexyl]-4-keto-azetidin-1-ium-1-yl]acetamide Formula: C23H28ClN2O4S+ MolecularWeight: 463.99742

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Descriptors Computed from Structure

Canonical SMILES:

C1C([N+](C1=O)(CCCCCCC2=CC=C(C=C2)Cl)CC(=O)N)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1C([N+](C1=O)(CCCCCCC2=CC=C(C=C2)Cl)CC(=O)N)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H27ClN2O4S/c24-19-13-11-18(12-14-19)8-4-1-2-7-15-26(17-21(25)27)22(28)16-23(26)31(29,30)20-9-5-3-6-10-20/h3,5-6,9-14,23H,1-2,4,7-8,15-17H2,(H-,25,27)/p+1