N-(3-chloranyl-4-cyano-phenyl)-2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(3-chloranyl-4-cyano-phenyl)-2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(3-chloro-4-cyano-phenyl)-2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: N-(3-chloro-4-cyanophenyl)-2-[4-(4-chlorophenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-chloro-4-cyanophenyl)-2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-(3-chloro-4-cyano-phenyl)-2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Formula: C19H19Cl2N4O3S+ MolecularWeight: 454.35016

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC(=C(C=C2)C#N)Cl)S(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC(=C(C=C2)C#N)Cl)S(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H18Cl2N4O3S/c20-15-2-5-17(6-3-15)29(27,28)25-9-7-24(8-10-25)13-19(26)23-16-4-1-14(12-22)18(21)11-16/h1-6,11H,7-10,13H2,(H,23,26)/p+1