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

Systemtic Name: 1-[4-[(2-chloranyl-1,3-thiazol-5-yl)methoxy]phenyl]sulfonyl-2-methyl-3-oxidanylidene-piperidine-2-carboxylic acid Openeye Name: 1-[4-[(2-chlorothiazol-5-yl)methoxy]phenyl]sulfonyl-2-methyl-3-oxo-piperidine-2-carboxylic acid CAS Name: 1-[4-[(2-chloro-5-thiazolyl)methoxy]phenyl]sulfonyl-2-methyl-3-oxo-2-piperidinecarboxylic acid IUPAC Name: 1-[4-[(2-chloro-1,3-thiazol-5-yl)methoxy]phenyl]sulfonyl-2-methyl-3-oxopiperidine-2-carboxylic acid Traditional Name: 1-[4-[(2-chlorothiazol-5-yl)methoxy]phenyl]sulfonyl-3-keto-2-methyl-pipecolinic acid Formula: C17H17ClN2O6S2 MolecularWeight: 444.90968

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)CCCN1S(=O)(=O)C2=CC=C(C=C2)OCC3=CN=C(S3)Cl)C(=O)O

Isomeric SMILES

CC1(C(=O)CCCN1S(=O)(=O)C2=CC=C(C=C2)OCC3=CN=C(S3)Cl)C(=O)O

InChI

InChI=1S/C17H17ClN2O6S2/c1-17(15(22)23)14(21)3-2-8-20(17)28(24,25)13-6-4-11(5-7-13)26-10-12-9-19-16(18)27-12/h4-7,9H,2-3,8,10H2,1H3,(H,22,23)