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

Systemtic Name: 1-[(3-ethyl-2-oxidanylidene-1,3-benzothiazol-6-yl)sulfonyl]piperidine-4-carboxylic acid Openeye Name: 1-[(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)sulfonyl]piperidine-4-carboxylic acid CAS Name: 1-[(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)sulfonyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)sulfonyl]piperidine-4-carboxylic acid Traditional Name: 1-[(3-ethyl-2-keto-1,3-benzothiazol-6-yl)sulfonyl]isonipecotic acid Formula: C15H18N2O5S2 MolecularWeight: 370.44382

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)C(=O)O)SC1=O

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)C(=O)O)SC1=O

InChI

InChI=1S/C15H18N2O5S2/c1-2-17-12-4-3-11(9-13(12)23-15(17)20)24(21,22)16-7-5-10(6-8-16)14(18)19/h3-4,9-10H,2,5-8H2,1H3,(H,18,19)