2-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-2-oxo-acetic acid CAS Name: 2-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1-piperazinyl]-2-oxoacetic acid IUPAC Name: 2-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-2-oxoacetic acid Traditional Name: 2-keto-2-(4-piazthiol-4-ylsulfonylpiperazino)acetic acid Formula: C12H12N4O5S2 MolecularWeight: 356.37748

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C(=O)O)S(=O)(=O)C2=CC=CC3=NSN=C32

Isomeric SMILES

C1CN(CCN1C(=O)C(=O)O)S(=O)(=O)C2=CC=CC3=NSN=C32

InChI

InChI=1S/C12H12N4O5S2/c17-11(12(18)19)15-4-6-16(7-5-15)23(20,21)9-3-1-2-8-10(9)14-22-13-8/h1-3H,4-7H2,(H,18,19)