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

Systemtic Name: 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(2-methylsulfonylphenyl)ethanamide Openeye Name: 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(2-methylsulfonylphenyl)acetamide CAS Name: 2-[4-(3-chlorophenyl)-1-piperazin-1-iumyl]-N-(2-methylsulfonylphenyl)acetamide IUPAC Name: 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(2-methylsulfonylphenyl)acetamide Traditional Name: 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(2-mesylphenyl)acetamide Formula: C19H23ClN3O3S+ MolecularWeight: 408.92222

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C3=CC(=CC=C3)Cl

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C19H22ClN3O3S/c1-27(25,26)18-8-3-2-7-17(18)21-19(24)14-22-9-11-23(12-10-22)16-6-4-5-15(20)13-16/h2-8,13H,9-12,14H2,1H3,(H,21,24)/p+1