2-(4-methylsulfonylpiperazin-1-ium-1-yl)-N-[2,4,5-tris(chloranyl)phenyl]ethanamide

Systemtic Name: 2-(4-methylsulfonylpiperazin-1-ium-1-yl)-N-[2,4,5-tris(chloranyl)phenyl]ethanamide Openeye Name: 2-(4-methylsulfonylpiperazin-1-ium-1-yl)-N-(2,4,5-trichlorophenyl)acetamide CAS Name: 2-(4-methylsulfonyl-1-piperazin-1-iumyl)-N-(2,4,5-trichlorophenyl)acetamide IUPAC Name: 2-(4-methylsulfonylpiperazin-1-ium-1-yl)-N-(2,4,5-trichlorophenyl)acetamide Traditional Name: 2-(4-mesylpiperazin-1-ium-1-yl)-N-(2,4,5-trichlorophenyl)acetamide Formula: C13H17Cl3N3O3S+ MolecularWeight: 401.71638

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CC[NH+](CC1)CC(=O)NC2=CC(=C(C=C2Cl)Cl)Cl

Isomeric SMILES

CS(=O)(=O)N1CC[NH+](CC1)CC(=O)NC2=CC(=C(C=C2Cl)Cl)Cl

InChI

InChI=1S/C13H16Cl3N3O3S/c1-23(21,22)19-4-2-18(3-5-19)8-13(20)17-12-7-10(15)9(14)6-11(12)16/h6-7H,2-5,8H2,1H3,(H,17,20)/p+1