N-(3,4-dichlorophenyl)-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(3,4-dichlorophenyl)-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-(3,4-dichlorophenyl)acetamide CAS Name: 2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]-N-(3,4-dichlorophenyl)acetamide IUPAC Name: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-(3,4-dichlorophenyl)acetamide Traditional Name: 2-(4-besylpiperazin-1-ium-1-yl)-N-(3,4-dichlorophenyl)acetamide Formula: C18H20Cl2N3O3S+ MolecularWeight: 429.3407

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19Cl2N3O3S/c19-16-7-6-14(12-17(16)20)21-18(24)13-22-8-10-23(11-9-22)27(25,26)15-4-2-1-3-5-15/h1-7,12H,8-11,13H2,(H,21,24)/p+1