N-(3-methylsulfonylphenyl)-2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(3-methylsulfonylphenyl)-2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-N-(3-methylsulfonylphenyl)acetamide CAS Name: 2-(4-benzoyl-1-piperazin-1-iumyl)-N-(3-methylsulfonylphenyl)acetamide IUPAC Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-N-(3-methylsulfonylphenyl)acetamide Traditional Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-N-(3-mesylphenyl)acetamide Formula: C20H24N3O4S+ MolecularWeight: 402.48726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O4S/c1-28(26,27)18-9-5-8-17(14-18)21-19(24)15-22-10-12-23(13-11-22)20(25)16-6-3-2-4-7-16/h2-9,14H,10-13,15H2,1H3,(H,21,24)/p+1