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

Systemtic Name: 1-[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]sulfonyl-3-oxidanyl-piperidine-2-carboxylic acid Openeye Name: 1-[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]sulfonyl-3-hydroxy-piperidine-2-carboxylic acid CAS Name: 1-[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]sulfonyl-3-hydroxy-2-piperidinecarboxylic acid IUPAC Name: 1-[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]sulfonyl-3-hydroxypiperidine-2-carboxylic acid Traditional Name: 1-[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]sulfonyl-3-hydroxy-pipecolinic acid Formula: C20H20N2O6S2 MolecularWeight: 448.5126

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(N(C1)S(=O)(=O)C2=CC=C(C=C2)OCC3=NC4=CC=CC=C4S3)C(=O)O)O

Isomeric SMILES

C1CC(C(N(C1)S(=O)(=O)C2=CC=C(C=C2)OCC3=NC4=CC=CC=C4S3)C(=O)O)O

InChI

InChI=1S/C20H20N2O6S2/c23-16-5-3-11-22(19(16)20(24)25)30(26,27)14-9-7-13(8-10-14)28-12-18-21-15-4-1-2-6-17(15)29-18/h1-2,4,6-10,16,19,23H,3,5,11-12H2,(H,24,25)