N-(4-methylsulfonylphenyl)-2-[4-(phenylcarbonyl)piperidin-1-ium-1-yl]ethanamide

Systemtic Name: N-(4-methylsulfonylphenyl)-2-[4-(phenylcarbonyl)piperidin-1-ium-1-yl]ethanamide Openeye Name: 2-(4-benzoylpiperidin-1-ium-1-yl)-N-(4-methylsulfonylphenyl)acetamide CAS Name: 2-(4-benzoyl-1-piperidin-1-iumyl)-N-(4-methylsulfonylphenyl)acetamide IUPAC Name: 2-(4-benzoylpiperidin-1-ium-1-yl)-N-(4-methylsulfonylphenyl)acetamide Traditional Name: 2-(4-benzoylpiperidin-1-ium-1-yl)-N-(4-mesylphenyl)acetamide Formula: C21H25N2O4S+ MolecularWeight: 401.4992

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)NC(=O)C[NH+]2CCC(CC2)C(=O)C3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)NC(=O)C[NH+]2CCC(CC2)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H24N2O4S/c1-28(26,27)19-9-7-18(8-10-19)22-20(24)15-23-13-11-17(12-14-23)21(25)16-5-3-2-4-6-16/h2-10,17H,11-15H2,1H3,(H,22,24)/p+1