3-(oxan-4-ylsulfamoylmethyl)benzoic acid

Systemtic Name: 3-(oxan-4-ylsulfamoylmethyl)benzoic acid Openeye Name: 3-(tetrahydropyran-4-ylsulfamoylmethyl)benzoic acid CAS Name: 3-(4-oxanylsulfamoylmethyl)benzoic acid IUPAC Name: 3-(oxan-4-ylsulfamoylmethyl)benzoic acid Traditional Name: 3-(tetrahydropyran-4-ylsulfamoylmethyl)benzoic acid Formula: C13H17NO5S MolecularWeight: 299.34278

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1NS(=O)(=O)CC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

C1COCCC1NS(=O)(=O)CC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C13H17NO5S/c15-13(16)11-3-1-2-10(8-11)9-20(17,18)14-12-4-6-19-7-5-12/h1-3,8,12,14H,4-7,9H2,(H,15,16)