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

Systemtic Name: 2-methyl-3-oxidanylidene-1-[4-(1,3-thiazol-5-ylmethoxy)phenyl]sulfonyl-piperidine-2-carboxylic acid Openeye Name: 2-methyl-3-oxo-1-[4-(thiazol-5-ylmethoxy)phenyl]sulfonyl-piperidine-2-carboxylic acid CAS Name: 2-methyl-3-oxo-1-[4-(5-thiazolylmethoxy)phenyl]sulfonyl-2-piperidinecarboxylic acid IUPAC Name: 2-methyl-3-oxo-1-[4-(1,3-thiazol-5-ylmethoxy)phenyl]sulfonylpiperidine-2-carboxylic acid Traditional Name: 3-keto-2-methyl-1-[4-(thiazol-5-ylmethoxy)phenyl]sulfonyl-pipecolinic acid Formula: C17H18N2O6S2 MolecularWeight: 410.46462

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)CCCN1S(=O)(=O)C2=CC=C(C=C2)OCC3=CN=CS3)C(=O)O

Isomeric SMILES

CC1(C(=O)CCCN1S(=O)(=O)C2=CC=C(C=C2)OCC3=CN=CS3)C(=O)O

InChI

InChI=1S/C17H18N2O6S2/c1-17(16(21)22)15(20)3-2-8-19(17)27(23,24)14-6-4-12(5-7-14)25-10-13-9-18-11-26-13/h4-7,9,11H,2-3,8,10H2,1H3,(H,21,22)