3-(4-ethylphenyl)-5-[[4-(phenylsulfonyl)piperazin-1-ium-1-yl]methyl]-1,2,4-oxadiazole

Systemtic Name: 3-(4-ethylphenyl)-5-[[4-(phenylsulfonyl)piperazin-1-ium-1-yl]methyl]-1,2,4-oxadiazole Openeye Name: 5-[[4-(benzenesulfonyl)piperazin-1-ium-1-yl]methyl]-3-(4-ethylphenyl)-1,2,4-oxadiazole CAS Name: 5-[[4-(benzenesulfonyl)-1-piperazin-1-iumyl]methyl]-3-(4-ethylphenyl)-1,2,4-oxadiazole IUPAC Name: 5-[[4-(benzenesulfonyl)piperazin-1-ium-1-yl]methyl]-3-(4-ethylphenyl)-1,2,4-oxadiazole Traditional Name: 5-[(4-besylpiperazin-1-ium-1-yl)methyl]-3-(4-ethylphenyl)-1,2,4-oxadiazole Formula: C21H25N4O3S+ MolecularWeight: 413.5132

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NOC(=N2)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NOC(=N2)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

InChI

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