2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)ethanamide

Systemtic Name: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)ethanamide Openeye Name: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)acetamide CAS Name: 2-[4-(4-chlorophenyl)sulfonyl-1-piperazin-1-iumyl]-N-(2,6-dimethylphenyl)acetamide IUPAC Name: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)acetamide Traditional Name: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)acetamide Formula: C20H25ClN3O3S+ MolecularWeight: 422.9488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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