N,N-dimethyl-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]sulfonyl-benzenesulfonamide

Systemtic Name: N,N-dimethyl-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]sulfonyl-benzenesulfonamide Openeye Name: 4-(4-benzylpiperazin-4-ium-1-yl)sulfonyl-N,N-dimethyl-benzenesulfonamide CAS Name: N,N-dimethyl-4-[[4-(phenylmethyl)-1-piperazin-4-iumyl]sulfonyl]benzenesulfonamide IUPAC Name: 4-(4-benzylpiperazin-4-ium-1-yl)sulfonyl-N,N-dimethylbenzenesulfonamide Traditional Name: 4-(4-benzylpiperazin-4-ium-1-yl)sulfonyl-N,N-dimethyl-benzenesulfonamide Formula: C19H26N3O4S2+ MolecularWeight: 424.55744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N3O4S2/c1-20(2)27(23,24)18-8-10-19(11-9-18)28(25,26)22-14-12-21(13-15-22)16-17-6-4-3-5-7-17/h3-11H,12-16H2,1-2H3/p+1