2-methyl-5-(4-methylsulfonylphenyl)-1-[3-(trifluoromethyl)phenyl]pyrrole-3-carboxylic acid

Systemtic Name: 2-methyl-5-(4-methylsulfonylphenyl)-1-[3-(trifluoromethyl)phenyl]pyrrole-3-carboxylic acid Openeye Name: 2-methyl-5-(4-methylsulfonylphenyl)-1-[3-(trifluoromethyl)phenyl]pyrrole-3-carboxylic acid CAS Name: 2-methyl-5-(4-methylsulfonylphenyl)-1-[3-(trifluoromethyl)phenyl]-3-pyrrolecarboxylic acid IUPAC Name: 2-methyl-5-(4-methylsulfonylphenyl)-1-[3-(trifluoromethyl)phenyl]pyrrole-3-carboxylic acid Traditional Name: 5-(4-mesylphenyl)-2-methyl-1-[3-(trifluoromethyl)phenyl]pyrrole-3-carboxylic acid Formula: C20H16F3NO4S MolecularWeight: 423.40555

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16F3NO4S/c1-12-17(19(25)26)11-18(13-6-8-16(9-7-13)29(2,27)28)24(12)15-5-3-4-14(10-15)20(21,22)23/h3-11H,1-2H3,(H,25,26)