1-[(2-oxidanylidene-3H-1,3-benzoxazol-6-yl)sulfonyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(2-oxidanylidene-3H-1,3-benzoxazol-6-yl)sulfonyl]piperidine-3-carboxylic acid Openeye Name: 1-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonyl]piperidine-3-carboxylic acid CAS Name: 1-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonyl]piperidine-3-carboxylic acid Traditional Name: 1-[(2-keto-3H-1,3-benzoxazol-6-yl)sulfonyl]nipecotic acid Formula: C13H14N2O6S MolecularWeight: 326.32506

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC3=C(C=C2)NC(=O)O3)C(=O)O

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)C2=CC3=C(C=C2)NC(=O)O3)C(=O)O

InChI

InChI=1S/C13H14N2O6S/c16-12(17)8-2-1-5-15(7-8)22(19,20)9-3-4-10-11(6-9)21-13(18)14-10/h3-4,6,8H,1-2,5,7H2,(H,14,18)(H,16,17)