5-[[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-ium-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole

Systemtic Name: 5-[[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-ium-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole Openeye Name: 5-[[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-ium-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole CAS Name: 5-[[4-(4-methylsulfonyl-2-nitrophenyl)-1-piperazin-1-iumyl]methyl]-3-phenyl-1,2,4-oxadiazole IUPAC Name: 5-[[4-(4-methylsulfonyl-2-nitrophenyl)piperazin-1-ium-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole Traditional Name: 5-[[4-(4-mesyl-2-nitro-phenyl)piperazin-1-ium-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole Formula: C20H22N5O5S+ MolecularWeight: 444.48418

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)CC3=NC(=NO3)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)CC3=NC(=NO3)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H21N5O5S/c1-31(28,29)16-7-8-17(18(13-16)25(26)27)24-11-9-23(10-12-24)14-19-21-20(22-30-19)15-5-3-2-4-6-15/h2-8,13H,9-12,14H2,1H3/p+1