1-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]propan-1-one

Systemtic Name: 1-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]propan-1-one Openeye Name: 1-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]propan-1-one CAS Name: 1-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1-piperazinyl]-1-propanone IUPAC Name: 1-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]propan-1-one Traditional Name: 1-(4-piazthiol-4-ylsulfonylpiperazino)propan-1-one Formula: C13H16N4O3S2 MolecularWeight: 340.42114

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC3=NSN=C32

Isomeric SMILES

CCC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC3=NSN=C32

InChI

InChI=1S/C13H16N4O3S2/c1-2-12(18)16-6-8-17(9-7-16)22(19,20)11-5-3-4-10-13(11)15-21-14-10/h3-5H,2,6-9H2,1H3