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

Systemtic Name: 1-[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]sulfonyl-2-methyl-3-oxidanylidene-piperidine-2-carboxylic acid Openeye Name: 1-[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]sulfonyl-2-methyl-3-oxo-piperidine-2-carboxylic acid CAS Name: 1-[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]sulfonyl-2-methyl-3-oxo-2-piperidinecarboxylic acid IUPAC Name: 1-[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]sulfonyl-2-methyl-3-oxopiperidine-2-carboxylic acid Traditional Name: 1-[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]sulfonyl-3-keto-2-methyl-pipecolinic acid Formula: C21H20N2O6S2 MolecularWeight: 460.5233

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)CCCN1S(=O)(=O)C2=CC=C(C=C2)OCC3=NC4=CC=CC=C4S3)C(=O)O

Isomeric SMILES

CC1(C(=O)CCCN1S(=O)(=O)C2=CC=C(C=C2)OCC3=NC4=CC=CC=C4S3)C(=O)O

InChI

InChI=1S/C21H20N2O6S2/c1-21(20(25)26)18(24)7-4-12-23(21)31(27,28)15-10-8-14(9-11-15)29-13-19-22-16-5-2-3-6-17(16)30-19/h2-3,5-6,8-11H,4,7,12-13H2,1H3,(H,25,26)