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

Systemtic Name: 1-[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]sulfonyl-3-methyl-3-oxidanyl-piperidine-2-carboxylic acid Openeye Name: 1-[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]sulfonyl-3-hydroxy-3-methyl-piperidine-2-carboxylic acid CAS Name: 1-[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]sulfonyl-3-hydroxy-3-methyl-2-piperidinecarboxylic acid IUPAC Name: 1-[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]sulfonyl-3-hydroxy-3-methylpiperidine-2-carboxylic acid Traditional Name: 1-[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]sulfonyl-3-hydroxy-3-methyl-pipecolinic acid Formula: C21H22N2O6S2 MolecularWeight: 462.53918

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCN(C1C(=O)O)S(=O)(=O)C2=CC=C(C=C2)OCC3=NC4=CC=CC=C4S3)O

Isomeric SMILES

CC1(CCCN(C1C(=O)O)S(=O)(=O)C2=CC=C(C=C2)OCC3=NC4=CC=CC=C4S3)O

InChI

InChI=1S/C21H22N2O6S2/c1-21(26)11-4-12-23(19(21)20(24)25)31(27,28)15-9-7-14(8-10-15)29-13-18-22-16-5-2-3-6-17(16)30-18/h2-3,5-10,19,26H,4,11-13H2,1H3,(H,24,25)