2,4-bis(chloranyl)-N,N-dimethyl-5-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-benzenesulfonamide

Systemtic Name: 2,4-bis(chloranyl)-N,N-dimethyl-5-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-benzenesulfonamide Openeye Name: 5-(4-benzylpiperazin-4-ium-1-carbonyl)-2,4-dichloro-N,N-dimethyl-benzenesulfonamide CAS Name: 2,4-dichloro-N,N-dimethyl-5-[oxo-[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]benzenesulfonamide IUPAC Name: 5-(4-benzylpiperazin-4-ium-1-carbonyl)-2,4-dichloro-N,N-dimethylbenzenesulfonamide Traditional Name: 5-(4-benzylpiperazin-4-ium-1-carbonyl)-2,4-dichloro-N,N-dimethyl-benzenesulfonamide Formula: C20H24Cl2N3O3S+ MolecularWeight: 457.39386

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=C(C=C(C(=C1)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)Cl)Cl

Isomeric SMILES

CN(C)S(=O)(=O)C1=C(C=C(C(=C1)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)Cl)Cl

InChI

InChI=1S/C20H23Cl2N3O3S/c1-23(2)29(27,28)19-12-16(17(21)13-18(19)22)20(26)25-10-8-24(9-11-25)14-15-6-4-3-5-7-15/h3-7,12-13H,8-11,14H2,1-2H3/p+1