3-(4-methylphenyl)-5-[[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,2,4-oxadiazole

Systemtic Name: 3-(4-methylphenyl)-5-[[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,2,4-oxadiazole Openeye Name: 3-(p-tolyl)-5-[[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]methyl]-1,2,4-oxadiazole CAS Name: 3-(4-methylphenyl)-5-[[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-1,2,4-oxadiazole IUPAC Name: 3-(4-methylphenyl)-5-[[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,2,4-oxadiazole Traditional Name: 3-(p-tolyl)-5-[(4-tosylpiperazin-1-ium-1-yl)methyl]-1,2,4-oxadiazole Formula: C21H25N4O3S+ MolecularWeight: 413.5132

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O3S/c1-16-3-7-18(8-4-16)21-22-20(28-23-21)15-24-11-13-25(14-12-24)29(26,27)19-9-5-17(2)6-10-19/h3-10H,11-15H2,1-2H3/p+1