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

Systemtic Name: 5-[[4-(4-bromanyl-3-methyl-phenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole Openeye Name: 5-[[4-(4-bromo-3-methyl-phenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole CAS Name: 5-[[4-(4-bromo-3-methylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-3-phenyl-1,2,4-oxadiazole IUPAC Name: 5-[[4-(4-bromo-3-methylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole Traditional Name: 5-[[4-(4-bromo-3-methyl-phenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole Formula: C20H22BrN4O3S+ MolecularWeight: 478.38268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=NC(=NO3)C4=CC=CC=C4)Br

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=NC(=NO3)C4=CC=CC=C4)Br

InChI

InChI=1S/C20H21BrN4O3S/c1-15-13-17(7-8-18(15)21)29(26,27)25-11-9-24(10-12-25)14-19-22-20(23-28-19)16-5-3-2-4-6-16/h2-8,13H,9-12,14H2,1H3/p+1