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

Systemtic Name: 5-[[4-(5-bromanylthiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]methyl]-3-tert-butyl-1,2,4-oxadiazole Openeye Name: 5-[[4-[(5-bromo-2-thienyl)sulfonyl]piperazin-1-ium-1-yl]methyl]-3-tert-butyl-1,2,4-oxadiazole CAS Name: 5-[[4-[(5-bromo-2-thiophenyl)sulfonyl]-1-piperazin-1-iumyl]methyl]-3-tert-butyl-1,2,4-oxadiazole IUPAC Name: 5-[[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]methyl]-3-tert-butyl-1,2,4-oxadiazole Traditional Name: 5-[[4-[(5-bromo-2-thienyl)sulfonyl]piperazin-1-ium-1-yl]methyl]-3-tert-butyl-1,2,4-oxadiazole Formula: C15H22BrN4O3S2+ MolecularWeight: 450.39418

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NOC(=N1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Br

Isomeric SMILES

CC(C)(C)C1=NOC(=N1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Br

InChI

InChI=1S/C15H21BrN4O3S2/c1-15(2,3)14-17-12(23-18-14)10-19-6-8-20(9-7-19)25(21,22)13-5-4-11(16)24-13/h4-5H,6-10H2,1-3H3/p+1