1-(2,5-dimethoxyphenyl)-2-methyl-5-(4-methylsulfonylphenyl)pyrrole-3-carboxylic acid

Systemtic Name: 1-(2,5-dimethoxyphenyl)-2-methyl-5-(4-methylsulfonylphenyl)pyrrole-3-carboxylic acid Openeye Name: 1-(2,5-dimethoxyphenyl)-2-methyl-5-(4-methylsulfonylphenyl)pyrrole-3-carboxylic acid CAS Name: 1-(2,5-dimethoxyphenyl)-2-methyl-5-(4-methylsulfonylphenyl)-3-pyrrolecarboxylic acid IUPAC Name: 1-(2,5-dimethoxyphenyl)-2-methyl-5-(4-methylsulfonylphenyl)pyrrole-3-carboxylic acid Traditional Name: 1-(2,5-dimethoxyphenyl)-5-(4-mesylphenyl)-2-methyl-pyrrole-3-carboxylic acid Formula: C21H21NO6S MolecularWeight: 415.45954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(N1C2=C(C=CC(=C2)OC)OC)C3=CC=C(C=C3)S(=O)(=O)C)C(=O)O

Isomeric SMILES

CC1=C(C=C(N1C2=C(C=CC(=C2)OC)OC)C3=CC=C(C=C3)S(=O)(=O)C)C(=O)O

InChI

InChI=1S/C21H21NO6S/c1-13-17(21(23)24)12-18(14-5-8-16(9-6-14)29(4,25)26)22(13)19-11-15(27-2)7-10-20(19)28-3/h5-12H,1-4H3,(H,23,24)