2-[4-(3-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(2-methylphenyl)methyl]ethanamide

Systemtic Name: 2-[4-(3-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(2-methylphenyl)methyl]ethanamide Openeye Name: 2-[4-(3-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(o-tolylmethyl)acetamide CAS Name: 2-[4-(3-chlorophenyl)sulfonyl-1-piperazin-1-iumyl]-N-[(2-methylphenyl)methyl]acetamide IUPAC Name: 2-[4-(3-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(2-methylphenyl)methyl]acetamide Traditional Name: 2-[4-(3-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-methylbenzyl)acetamide Formula: C20H25ClN3O3S+ MolecularWeight: 422.9488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CNC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC(=CC=C3)Cl

Isomeric SMILES

CC1=CC=CC=C1CNC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C20H24ClN3O3S/c1-16-5-2-3-6-17(16)14-22-20(25)15-23-9-11-24(12-10-23)28(26,27)19-8-4-7-18(21)13-19/h2-8,13H,9-12,14-15H2,1H3,(H,22,25)/p+1