3-[4-(2,6-dimethoxyphenyl)phenyl]-2-[(4-methylsulfonylphenyl)amino]propanoic acid

Systemtic Name: 3-[4-(2,6-dimethoxyphenyl)phenyl]-2-[(4-methylsulfonylphenyl)amino]propanoic acid Openeye Name: 3-[4-(2,6-dimethoxyphenyl)phenyl]-2-(4-methylsulfonylanilino)propanoic acid CAS Name: 3-[4-(2,6-dimethoxyphenyl)phenyl]-2-(4-methylsulfonylanilino)propanoic acid IUPAC Name: 3-[4-(2,6-dimethoxyphenyl)phenyl]-2-(4-methylsulfonylanilino)propanoic acid Traditional Name: 3-[4-(2,6-dimethoxyphenyl)phenyl]-2-(4-mesylanilino)propionic acid Formula: C24H25NO6S MolecularWeight: 455.5234

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC=C1)OC)C2=CC=C(C=C2)CC(C(=O)O)NC3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

COC1=C(C(=CC=C1)OC)C2=CC=C(C=C2)CC(C(=O)O)NC3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C24H25NO6S/c1-30-21-5-4-6-22(31-2)23(21)17-9-7-16(8-10-17)15-20(24(26)27)25-18-11-13-19(14-12-18)32(3,28)29/h4-14,20,25H,15H2,1-3H3,(H,26,27)