4-[methyl(oxan-4-yl)sulfamoyl]benzoic acid

Systemtic Name: 4-[methyl(oxan-4-yl)sulfamoyl]benzoic acid Openeye Name: 4-[methyl(tetrahydropyran-4-yl)sulfamoyl]benzoic acid CAS Name: 4-[methyl(4-oxanyl)sulfamoyl]benzoic acid IUPAC Name: 4-[methyl(oxan-4-yl)sulfamoyl]benzoic acid Traditional Name: 4-[methyl(tetrahydropyran-4-yl)sulfamoyl]benzoic acid Formula: C13H17NO5S MolecularWeight: 299.34278

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCOCC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CN(C1CCOCC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C13H17NO5S/c1-14(11-6-8-19-9-7-11)20(17,18)12-4-2-10(3-5-12)13(15)16/h2-5,11H,6-9H2,1H3,(H,15,16)