N,N-dimethyl-3-[[4-(phenylsulfonyl)piperazin-1-ium-1-yl]methyl]benzenesulfonamide

Systemtic Name: N,N-dimethyl-3-[[4-(phenylsulfonyl)piperazin-1-ium-1-yl]methyl]benzenesulfonamide Openeye Name: 3-[[4-(benzenesulfonyl)piperazin-1-ium-1-yl]methyl]-N,N-dimethyl-benzenesulfonamide CAS Name: 3-[[4-(benzenesulfonyl)-1-piperazin-1-iumyl]methyl]-N,N-dimethylbenzenesulfonamide IUPAC Name: 3-[[4-(benzenesulfonyl)piperazin-1-ium-1-yl]methyl]-N,N-dimethylbenzenesulfonamide Traditional Name: 3-[(4-besylpiperazin-1-ium-1-yl)methyl]-N,N-dimethyl-benzenesulfonamide Formula: C19H26N3O4S2+ MolecularWeight: 424.55744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC=CC(=C1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC=CC(=C1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

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