3-[5-methoxy-1-(4-methoxyphenyl)sulfonyl-indol-3-yl]-2,2-dimethyl-propanoic acid

Systemtic Name: 3-[5-methoxy-1-(4-methoxyphenyl)sulfonyl-indol-3-yl]-2,2-dimethyl-propanoic acid Openeye Name: 3-[5-methoxy-1-(4-methoxyphenyl)sulfonyl-indol-3-yl]-2,2-dimethyl-propanoic acid CAS Name: 3-[5-methoxy-1-(4-methoxyphenyl)sulfonyl-3-indolyl]-2,2-dimethylpropanoic acid IUPAC Name: 3-[5-methoxy-1-(4-methoxyphenyl)sulfonylindol-3-yl]-2,2-dimethylpropanoic acid Traditional Name: 3-[5-methoxy-1-(4-methoxyphenyl)sulfonyl-indol-3-yl]-2,2-dimethyl-propionic acid Formula: C21H23NO6S MolecularWeight: 417.47542

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC1=CN(C2=C1C=C(C=C2)OC)S(=O)(=O)C3=CC=C(C=C3)OC)C(=O)O

Isomeric SMILES

CC(C)(CC1=CN(C2=C1C=C(C=C2)OC)S(=O)(=O)C3=CC=C(C=C3)OC)C(=O)O

InChI

InChI=1S/C21H23NO6S/c1-21(2,20(23)24)12-14-13-22(19-10-7-16(28-4)11-18(14)19)29(25,26)17-8-5-15(27-3)6-9-17/h5-11,13H,12H2,1-4H3,(H,23,24)