1-[(2-oxidanylidene-3H-1,3-benzothiazol-6-yl)sulfonyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(2-oxidanylidene-3H-1,3-benzothiazol-6-yl)sulfonyl]piperidine-4-carboxylic acid Openeye Name: 1-[(2-oxo-3H-1,3-benzothiazol-6-yl)sulfonyl]piperidine-4-carboxylic acid CAS Name: 1-[(2-oxo-3H-1,3-benzothiazol-6-yl)sulfonyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(2-oxo-3H-1,3-benzothiazol-6-yl)sulfonyl]piperidine-4-carboxylic acid Traditional Name: 1-[(2-keto-3H-1,3-benzothiazol-6-yl)sulfonyl]isonipecotic acid Formula: C13H14N2O5S2 MolecularWeight: 342.39066

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)S(=O)(=O)C2=CC3=C(C=C2)NC(=O)S3

Isomeric SMILES

C1CN(CCC1C(=O)O)S(=O)(=O)C2=CC3=C(C=C2)NC(=O)S3

InChI

InChI=1S/C13H14N2O5S2/c16-12(17)8-3-5-15(6-4-8)22(19,20)9-1-2-10-11(7-9)21-13(18)14-10/h1-2,7-8H,3-6H2,(H,14,18)(H,16,17)