2-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-ium-1-yl]-1-(4-methylsulfonylpiperazin-1-yl)ethanone

Systemtic Name: 2-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-ium-1-yl]-1-(4-methylsulfonylpiperazin-1-yl)ethanone Openeye Name: 2-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-ium-1-yl]-1-(4-methylsulfonylpiperazin-1-yl)ethanone CAS Name: 2-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1-piperazin-1-iumyl]-1-(4-methylsulfonyl-1-piperazinyl)ethanone IUPAC Name: 2-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-ium-1-yl]-1-(4-methylsulfonylpiperazin-1-yl)ethanone Traditional Name: 1-(4-mesylpiperazino)-2-(4-piazthiol-4-ylsulfonylpiperazin-1-ium-1-yl)ethanone Formula: C17H25N6O5S3+ MolecularWeight: 489.6126

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC4=NSN=C43

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC4=NSN=C43

InChI

InChI=1S/C17H24N6O5S3/c1-30(25,26)22-11-7-21(8-12-22)16(24)13-20-5-9-23(10-6-20)31(27,28)15-4-2-3-14-17(15)19-29-18-14/h2-4H,5-13H2,1H3/p+1