N-(2,4-dichlorophenyl)-2-[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2,4-dichlorophenyl)-2-[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: 2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-(2,4-dichlorophenyl)acetamide CAS Name: N-(2,4-dichlorophenyl)-2-[4-(phenylmethyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: 2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-(2,4-dichlorophenyl)acetamide Traditional Name: 2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-(2,4-dichlorophenyl)acetamide Formula: C19H22Cl2N3O3S+ MolecularWeight: 443.36728

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=C(C=C(C=C2)Cl)Cl)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=C(C=C(C=C2)Cl)Cl)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C19H21Cl2N3O3S/c20-16-6-7-18(17(21)12-16)22-19(25)13-23-8-10-24(11-9-23)28(26,27)14-15-4-2-1-3-5-15/h1-7,12H,8-11,13-14H2,(H,22,25)/p+1