3-[1-(3,4-dimethoxyphenyl)sulfonyl-5-methoxy-indol-3-yl]propanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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