3-[1-(3,5-dimethoxyphenyl)sulfonyl-5-methoxy-indol-3-yl]propanoic acid

Systemtic Name: 3-[1-(3,5-dimethoxyphenyl)sulfonyl-5-methoxy-indol-3-yl]propanoic acid Openeye Name: 3-[1-(3,5-dimethoxyphenyl)sulfonyl-5-methoxy-indol-3-yl]propanoic acid CAS Name: 3-[1-(3,5-dimethoxyphenyl)sulfonyl-5-methoxy-3-indolyl]propanoic acid IUPAC Name: 3-[1-(3,5-dimethoxyphenyl)sulfonyl-5-methoxyindol-3-yl]propanoic acid Traditional Name: 3-[1-(3,5-dimethoxyphenyl)sulfonyl-5-methoxy-indol-3-yl]propionic acid Formula: C20H21NO7S MolecularWeight: 419.44824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(C=C2CCC(=O)O)S(=O)(=O)C3=CC(=CC(=C3)OC)OC

Isomeric SMILES

COC1=CC2=C(C=C1)N(C=C2CCC(=O)O)S(=O)(=O)C3=CC(=CC(=C3)OC)OC

InChI

InChI=1S/C20H21NO7S/c1-26-14-5-6-19-18(11-14)13(4-7-20(22)23)12-21(19)29(24,25)17-9-15(27-2)8-16(10-17)28-3/h5-6,8-12H,4,7H2,1-3H3,(H,22,23)