3-[5,6-dimethoxy-1-(4-methoxyphenyl)sulfonyl-indol-3-yl]propanoic acid

Systemtic Name: 3-[5,6-dimethoxy-1-(4-methoxyphenyl)sulfonyl-indol-3-yl]propanoic acid Openeye Name: 3-[5,6-dimethoxy-1-(4-methoxyphenyl)sulfonyl-indol-3-yl]propanoic acid CAS Name: 3-[5,6-dimethoxy-1-(4-methoxyphenyl)sulfonyl-3-indolyl]propanoic acid IUPAC Name: 3-[5,6-dimethoxy-1-(4-methoxyphenyl)sulfonylindol-3-yl]propanoic acid Traditional Name: 3-[5,6-dimethoxy-1-(4-methoxyphenyl)sulfonyl-indol-3-yl]propionic acid Formula: C20H21NO7S MolecularWeight: 419.44824

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC(=C(C=C32)OC)OC)CCC(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC(=C(C=C32)OC)OC)CCC(=O)O

InChI

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