3-[4-[2-(3,5-dimethylphenoxy)ethyl-methyl-sulfamoyl]phenyl]propanoic acid

Systemtic Name: 3-[4-[2-(3,5-dimethylphenoxy)ethyl-methyl-sulfamoyl]phenyl]propanoic acid Openeye Name: 3-[4-[2-(3,5-dimethylphenoxy)ethyl-methyl-sulfamoyl]phenyl]propanoic acid CAS Name: 3-[4-[2-(3,5-dimethylphenoxy)ethyl-methylsulfamoyl]phenyl]propanoic acid IUPAC Name: 3-[4-[2-(3,5-dimethylphenoxy)ethyl-methylsulfamoyl]phenyl]propanoic acid Traditional Name: 3-[4-[2-(3,5-dimethylphenoxy)ethyl-methyl-sulfamoyl]phenyl]propionic acid Formula: C20H25NO5S MolecularWeight: 391.4812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25NO5S/c1-15-12-16(2)14-18(13-15)26-11-10-21(3)27(24,25)19-7-4-17(5-8-19)6-9-20(22)23/h4-5,7-8,12-14H,6,9-11H2,1-3H3,(H,22,23)