4-(4-chloranylphenoxy)-3-oxidanyl-2-piperidin-1-ylsulfonyl-oxane-3-carboxylic acid

Systemtic Name: 4-(4-chloranylphenoxy)-3-oxidanyl-2-piperidin-1-ylsulfonyl-oxane-3-carboxylic acid Openeye Name: 4-(4-chlorophenoxy)-3-hydroxy-2-(1-piperidylsulfonyl)tetrahydropyran-3-carboxylic acid CAS Name: 4-(4-chlorophenoxy)-3-hydroxy-2-(1-piperidinylsulfonyl)-3-oxanecarboxylic acid IUPAC Name: 4-(4-chlorophenoxy)-3-hydroxy-2-piperidin-1-ylsulfonyloxane-3-carboxylic acid Traditional Name: 4-(4-chlorophenoxy)-3-hydroxy-2-piperidinosulfonyl-tetrahydropyran-3-carboxylic acid Formula: C17H22ClNO7S MolecularWeight: 419.87708

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2C(C(CCO2)OC3=CC=C(C=C3)Cl)(C(=O)O)O

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2C(C(CCO2)OC3=CC=C(C=C3)Cl)(C(=O)O)O

InChI

InChI=1S/C17H22ClNO7S/c18-12-4-6-13(7-5-12)26-14-8-11-25-16(17(14,22)15(20)21)27(23,24)19-9-2-1-3-10-19/h4-7,14,16,22H,1-3,8-11H2,(H,20,21)