4-[4-[(2-bromophenyl)methyl]piperazin-4-ium-1-yl]sulfonyl-2,1,3-benzothiadiazole

Systemtic Name: 4-[4-[(2-bromophenyl)methyl]piperazin-4-ium-1-yl]sulfonyl-2,1,3-benzothiadiazole Openeye Name: 4-[4-[(2-bromophenyl)methyl]piperazin-4-ium-1-yl]sulfonyl-2,1,3-benzothiadiazole CAS Name: 4-[[4-[(2-bromophenyl)methyl]-1-piperazin-4-iumyl]sulfonyl]-2,1,3-benzothiadiazole IUPAC Name: 4-[4-[(2-bromophenyl)methyl]piperazin-4-ium-1-yl]sulfonyl-2,1,3-benzothiadiazole Traditional Name: 4-[4-(2-bromobenzyl)piperazin-4-ium-1-yl]sulfonylpiazthiole Formula: C17H18BrN4O2S2+ MolecularWeight: 454.38442

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2Br)S(=O)(=O)C3=CC=CC4=NSN=C43

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2Br)S(=O)(=O)C3=CC=CC4=NSN=C43

InChI

InChI=1S/C17H17BrN4O2S2/c18-14-5-2-1-4-13(14)12-21-8-10-22(11-9-21)26(23,24)16-7-3-6-15-17(16)20-25-19-15/h1-7H,8-12H2/p+1