3-(2,1,3-benzothiadiazol-4-ylsulfonyl)propanoic acid

Systemtic Name: 3-(2,1,3-benzothiadiazol-4-ylsulfonyl)propanoic acid Openeye Name: 3-(2,1,3-benzothiadiazol-4-ylsulfonyl)propanoic acid CAS Name: 3-(2,1,3-benzothiadiazol-4-ylsulfonyl)propanoic acid IUPAC Name: 3-(2,1,3-benzothiadiazol-4-ylsulfonyl)propanoic acid Traditional Name: 3-piazthiol-4-ylsulfonylpropionic acid Formula: C9H8N2O4S2 MolecularWeight: 272.30082

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=NSN=C2C(=C1)S(=O)(=O)CCC(=O)O

Isomeric SMILES

C1=CC2=NSN=C2C(=C1)S(=O)(=O)CCC(=O)O

InChI

InChI=1S/C9H8N2O4S2/c12-8(13)4-5-17(14,15)7-3-1-2-6-9(7)11-16-10-6/h1-3H,4-5H2,(H,12,13)