3-[2-(3,5-dimethylphenoxy)ethyl-methyl-sulfamoyl]-4-methoxy-benzoic acid

Systemtic Name: 3-[2-(3,5-dimethylphenoxy)ethyl-methyl-sulfamoyl]-4-methoxy-benzoic acid Openeye Name: 3-[2-(3,5-dimethylphenoxy)ethyl-methyl-sulfamoyl]-4-methoxy-benzoic acid CAS Name: 3-[2-(3,5-dimethylphenoxy)ethyl-methylsulfamoyl]-4-methoxybenzoic acid IUPAC Name: 3-[2-(3,5-dimethylphenoxy)ethyl-methylsulfamoyl]-4-methoxybenzoic acid Traditional Name: 3-[2-(3,5-dimethylphenoxy)ethyl-methyl-sulfamoyl]-4-methoxy-benzoic acid Formula: C19H23NO6S MolecularWeight: 393.45402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCCN(C)S(=O)(=O)C2=C(C=CC(=C2)C(=O)O)OC)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCCN(C)S(=O)(=O)C2=C(C=CC(=C2)C(=O)O)OC)C

InChI

InChI=1S/C19H23NO6S/c1-13-9-14(2)11-16(10-13)26-8-7-20(3)27(23,24)18-12-15(19(21)22)5-6-17(18)25-4/h5-6,9-12H,7-8H2,1-4H3,(H,21,22)