4-[1-(2,6-dimethylphenoxy)propan-2-ylsulfamoyl]benzoic acid

Systemtic Name: 4-[1-(2,6-dimethylphenoxy)propan-2-ylsulfamoyl]benzoic acid Openeye Name: 4-[[2-(2,6-dimethylphenoxy)-1-methyl-ethyl]sulfamoyl]benzoic acid CAS Name: 4-[1-(2,6-dimethylphenoxy)propan-2-ylsulfamoyl]benzoic acid IUPAC Name: 4-[1-(2,6-dimethylphenoxy)propan-2-ylsulfamoyl]benzoic acid Traditional Name: 4-[[2-(2,6-dimethylphenoxy)-1-methyl-ethyl]sulfamoyl]benzoic acid Formula: C18H21NO5S MolecularWeight: 363.42804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OCC(C)NS(=O)(=O)C2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC1=C(C(=CC=C1)C)OCC(C)NS(=O)(=O)C2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C18H21NO5S/c1-12-5-4-6-13(2)17(12)24-11-14(3)19-25(22,23)16-9-7-15(8-10-16)18(20)21/h4-10,14,19H,11H2,1-3H3,(H,20,21)