2-[1-(4-methoxyphenyl)-2-methyl-5-(4-methylsulfonylphenyl)pyrrol-3-yl]ethanoic acid

Systemtic Name: 2-[1-(4-methoxyphenyl)-2-methyl-5-(4-methylsulfonylphenyl)pyrrol-3-yl]ethanoic acid Openeye Name: 2-[1-(4-methoxyphenyl)-2-methyl-5-(4-methylsulfonylphenyl)pyrrol-3-yl]acetic acid CAS Name: 2-[1-(4-methoxyphenyl)-2-methyl-5-(4-methylsulfonylphenyl)-3-pyrrolyl]acetic acid IUPAC Name: 2-[1-(4-methoxyphenyl)-2-methyl-5-(4-methylsulfonylphenyl)pyrrol-3-yl]acetic acid Traditional Name: 2-[5-(4-mesylphenyl)-1-(4-methoxyphenyl)-2-methyl-pyrrol-3-yl]acetic acid Formula: C21H21NO5S MolecularWeight: 399.46014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO5S/c1-14-16(13-21(23)24)12-20(15-4-10-19(11-5-15)28(3,25)26)22(14)17-6-8-18(27-2)9-7-17/h4-12H,13H2,1-3H3,(H,23,24)