1-(2,1,3-benzoxadiazol-4-ylsulfonyl)piperidine-3-carboxylic acid

Systemtic Name: 1-(2,1,3-benzoxadiazol-4-ylsulfonyl)piperidine-3-carboxylic acid Openeye Name: 1-(2,1,3-benzoxadiazol-4-ylsulfonyl)piperidine-3-carboxylic acid CAS Name: 1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-3-piperidinecarboxylic acid IUPAC Name: 1-(2,1,3-benzoxadiazol-4-ylsulfonyl)piperidine-3-carboxylic acid Traditional Name: 1-benzofurazan-4-ylsulfonylnipecotic acid Formula: C12H13N3O5S MolecularWeight: 311.31372

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=CC3=NON=C32)C(=O)O

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)C2=CC=CC3=NON=C32)C(=O)O

InChI

InChI=1S/C12H13N3O5S/c16-12(17)8-3-2-6-15(7-8)21(18,19)10-5-1-4-9-11(10)14-20-13-9/h1,4-5,8H,2-3,6-7H2,(H,16,17)