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

Systemtic Name: 1-[(3-methyl-2-oxidanylidene-1,3-benzothiazol-6-yl)sulfonyl]piperidine-4-carboxylic acid Openeye Name: 1-[(3-methyl-2-oxo-1,3-benzothiazol-6-yl)sulfonyl]piperidine-4-carboxylic acid CAS Name: 1-[(3-methyl-2-oxo-1,3-benzothiazol-6-yl)sulfonyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3-methyl-2-oxo-1,3-benzothiazol-6-yl)sulfonyl]piperidine-4-carboxylic acid Traditional Name: 1-[(2-keto-3-methyl-1,3-benzothiazol-6-yl)sulfonyl]isonipecotic acid Formula: C14H16N2O5S2 MolecularWeight: 356.41724

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)C(=O)O)SC1=O

Isomeric SMILES

CN1C2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)C(=O)O)SC1=O

InChI

InChI=1S/C14H16N2O5S2/c1-15-11-3-2-10(8-12(11)22-14(15)19)23(20,21)16-6-4-9(5-7-16)13(17)18/h2-3,8-9H,4-7H2,1H3,(H,17,18)