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

Systemtic Name: 5-[[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-3-(furan-2-yl)-1,2,4-oxadiazole Openeye Name: 5-[[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-3-(2-furyl)-1,2,4-oxadiazole CAS Name: 5-[[4-(3-bromophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-3-(2-furanyl)-1,2,4-oxadiazole IUPAC Name: 5-[[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-3-(furan-2-yl)-1,2,4-oxadiazole Traditional Name: 5-[[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-3-(2-furyl)-1,2,4-oxadiazole Formula: C17H18BrN4O4S+ MolecularWeight: 454.31822

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC(=NO2)C3=CC=CO3)S(=O)(=O)C4=CC(=CC=C4)Br

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC(=NO2)C3=CC=CO3)S(=O)(=O)C4=CC(=CC=C4)Br

InChI

InChI=1S/C17H17BrN4O4S/c18-13-3-1-4-14(11-13)27(23,24)22-8-6-21(7-9-22)12-16-19-17(20-26-16)15-5-2-10-25-15/h1-5,10-11H,6-9,12H2/p+1