3-oxidanyl-1-[4-(1,3-thiazol-5-ylmethoxy)phenyl]sulfonyl-piperidine-2-carboxylic acid

Systemtic Name: 3-oxidanyl-1-[4-(1,3-thiazol-5-ylmethoxy)phenyl]sulfonyl-piperidine-2-carboxylic acid Openeye Name: 3-hydroxy-1-[4-(thiazol-5-ylmethoxy)phenyl]sulfonyl-piperidine-2-carboxylic acid CAS Name: 3-hydroxy-1-[4-(5-thiazolylmethoxy)phenyl]sulfonyl-2-piperidinecarboxylic acid IUPAC Name: 3-hydroxy-1-[4-(1,3-thiazol-5-ylmethoxy)phenyl]sulfonylpiperidine-2-carboxylic acid Traditional Name: 3-hydroxy-1-[4-(thiazol-5-ylmethoxy)phenyl]sulfonyl-pipecolinic acid Formula: C16H18N2O6S2 MolecularWeight: 398.45392

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(N(C1)S(=O)(=O)C2=CC=C(C=C2)OCC3=CN=CS3)C(=O)O)O

Isomeric SMILES

C1CC(C(N(C1)S(=O)(=O)C2=CC=C(C=C2)OCC3=CN=CS3)C(=O)O)O

InChI

InChI=1S/C16H18N2O6S2/c19-14-2-1-7-18(15(14)16(20)21)26(22,23)13-5-3-11(4-6-13)24-9-12-8-17-10-25-12/h3-6,8,10,14-15,19H,1-2,7,9H2,(H,20,21)