1-(2,1,3-benzothiadiazol-5-ylcarbonyl)piperidine-4-carboxylic acid

Systemtic Name: 1-(2,1,3-benzothiadiazol-5-ylcarbonyl)piperidine-4-carboxylic acid Openeye Name: 1-(2,1,3-benzothiadiazole-5-carbonyl)piperidine-4-carboxylic acid CAS Name: 1-[2,1,3-benzothiadiazol-5-yl(oxo)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-(2,1,3-benzothiadiazole-5-carbonyl)piperidine-4-carboxylic acid Traditional Name: 1-(piazthiole-5-carbonyl)isonipecotic acid Formula: C13H13N3O3S MolecularWeight: 291.32562

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(=O)C2=CC3=NSN=C3C=C2

Isomeric SMILES

C1CN(CCC1C(=O)O)C(=O)C2=CC3=NSN=C3C=C2

InChI

InChI=1S/C13H13N3O3S/c17-12(16-5-3-8(4-6-16)13(18)19)9-1-2-10-11(7-9)15-20-14-10/h1-2,7-8H,3-6H2,(H,18,19)