4-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-yl]sulfonylbenzenesulfonamide

Systemtic Name: 4-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-yl]sulfonylbenzenesulfonamide Openeye Name: 4-[4-[[3-(p-tolyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-yl]sulfonylbenzenesulfonamide CAS Name: 4-[[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-piperazin-4-iumyl]sulfonyl]benzenesulfonamide IUPAC Name: 4-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-yl]sulfonylbenzenesulfonamide Traditional Name: 4-[4-[[3-(p-tolyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-yl]sulfonylbenzenesulfonamide Formula: C20H24N5O5S2+ MolecularWeight: 478.56506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NOC(=N2)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)S(=O)(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)C2=NOC(=N2)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)S(=O)(=O)N

InChI

InChI=1S/C20H23N5O5S2/c1-15-2-4-16(5-3-15)20-22-19(30-23-20)14-24-10-12-25(13-11-24)32(28,29)18-8-6-17(7-9-18)31(21,26)27/h2-9H,10-14H2,1H3,(H2,21,26,27)/p+1