2-[4-(2-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(3,5-dimethylphenyl)ethanamide

Systemtic Name: 2-[4-(2-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(3,5-dimethylphenyl)ethanamide Openeye Name: 2-[4-(2-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(3,5-dimethylphenyl)acetamide CAS Name: 2-[4-(2-chlorophenyl)sulfonyl-1-piperazin-1-iumyl]-N-(3,5-dimethylphenyl)acetamide IUPAC Name: 2-[4-(2-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(3,5-dimethylphenyl)acetamide Traditional Name: 2-[4-(2-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(3,5-dimethylphenyl)acetamide Formula: C20H25ClN3O3S+ MolecularWeight: 422.9488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3Cl)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3Cl)C

InChI

InChI=1S/C20H24ClN3O3S/c1-15-11-16(2)13-17(12-15)22-20(25)14-23-7-9-24(10-8-23)28(26,27)19-6-4-3-5-18(19)21/h3-6,11-13H,7-10,14H2,1-2H3,(H,22,25)/p+1