N,N-dimethyl-4-[4-(quinolin-8-ylmethyl)piperazin-4-ium-1-yl]sulfonyl-benzenesulfonamide

Systemtic Name: N,N-dimethyl-4-[4-(quinolin-8-ylmethyl)piperazin-4-ium-1-yl]sulfonyl-benzenesulfonamide Openeye Name: N,N-dimethyl-4-[4-(8-quinolylmethyl)piperazin-4-ium-1-yl]sulfonyl-benzenesulfonamide CAS Name: N,N-dimethyl-4-[[4-(8-quinolinylmethyl)-1-piperazin-4-iumyl]sulfonyl]benzenesulfonamide IUPAC Name: N,N-dimethyl-4-[4-(quinolin-8-ylmethyl)piperazin-4-ium-1-yl]sulfonylbenzenesulfonamide Traditional Name: N,N-dimethyl-4-[4-(8-quinolylmethyl)piperazin-4-ium-1-yl]sulfonyl-benzenesulfonamide Formula: C22H27N4O4S2+ MolecularWeight: 475.60418

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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=CC4=C3N=CC=C4

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C22H26N4O4S2/c1-24(2)31(27,28)20-8-10-21(11-9-20)32(29,30)26-15-13-25(14-16-26)17-19-6-3-5-18-7-4-12-23-22(18)19/h3-12H,13-17H2,1-2H3/p+1