1-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]piperidine-3-carboxylic acid

Systemtic Name: 1-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]piperidine-3-carboxylic acid Openeye Name: 1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-3-carboxylic acid CAS Name: 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-3-piperidinecarboxylic acid IUPAC Name: 1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-3-carboxylic acid Traditional Name: 1-(1,1-diketo-1,2-benzothiazol-3-yl)nipecotic acid Formula: C13H14N2O4S MolecularWeight: 294.32626

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=NS(=O)(=O)C3=CC=CC=C32)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C2=NS(=O)(=O)C3=CC=CC=C32)C(=O)O

InChI

InChI=1S/C13H14N2O4S/c16-13(17)9-4-3-7-15(8-9)12-10-5-1-2-6-11(10)20(18,19)14-12/h1-2,5-6,9H,3-4,7-8H2,(H,16,17)