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

Systemtic Name: (2R,3S)-3-methyl-3-oxidanyl-1-[4-(1,3-thiazol-5-ylmethoxy)phenyl]sulfonyl-piperidine-2-carboxylic acid Openeye Name: (2R,3S)-3-hydroxy-3-methyl-1-[4-(thiazol-5-ylmethoxy)phenyl]sulfonyl-piperidine-2-carboxylic acid CAS Name: (2R,3S)-3-hydroxy-3-methyl-1-[4-(5-thiazolylmethoxy)phenyl]sulfonyl-2-piperidinecarboxylic acid IUPAC Name: (2R,3S)-3-hydroxy-3-methyl-1-[4-(1,3-thiazol-5-ylmethoxy)phenyl]sulfonylpiperidine-2-carboxylic acid Traditional Name: (2R,3S)-3-hydroxy-3-methyl-1-[4-(thiazol-5-ylmethoxy)phenyl]sulfonyl-pipecolinic acid Formula: C17H20N2O6S2 MolecularWeight: 412.4805

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCN(C1C(=O)O)S(=O)(=O)C2=CC=C(C=C2)OCC3=CN=CS3)O

Isomeric SMILES

C[C@@]1(CCCN([C@H]1C(=O)O)S(=O)(=O)C2=CC=C(C=C2)OCC3=CN=CS3)O

InChI

InChI=1S/C17H20N2O6S2/c1-17(22)7-2-8-19(15(17)16(20)21)27(23,24)14-5-3-12(4-6-14)25-10-13-9-18-11-26-13/h3-6,9,11,15,22H,2,7-8,10H2,1H3,(H,20,21)/t15-,17-/m0/s1