2-[3-cyano-4-[3-methylsulfonyl-5-(trifluoromethyl)phenyl]pyrrol-1-yl]ethanoic acid

Systemtic Name: 2-[3-cyano-4-[3-methylsulfonyl-5-(trifluoromethyl)phenyl]pyrrol-1-yl]ethanoic acid Openeye Name: 2-[3-cyano-4-[3-methylsulfonyl-5-(trifluoromethyl)phenyl]pyrrol-1-yl]acetic acid CAS Name: 2-[3-cyano-4-[3-methylsulfonyl-5-(trifluoromethyl)phenyl]-1-pyrrolyl]acetic acid IUPAC Name: 2-[3-cyano-4-[3-methylsulfonyl-5-(trifluoromethyl)phenyl]pyrrol-1-yl]acetic acid Traditional Name: 2-[3-cyano-4-[3-mesyl-5-(trifluoromethyl)phenyl]pyrrol-1-yl]acetic acid Formula: C15H11F3N2O4S MolecularWeight: 372.31905

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=CC(=C1)C(F)(F)F)C2=CN(C=C2C#N)CC(=O)O

Isomeric SMILES

CS(=O)(=O)C1=CC(=CC(=C1)C(F)(F)F)C2=CN(C=C2C#N)CC(=O)O

InChI

InChI=1S/C15H11F3N2O4S/c1-25(23,24)12-3-9(2-11(4-12)15(16,17)18)13-7-20(8-14(21)22)6-10(13)5-19/h2-4,6-7H,8H2,1H3,(H,21,22)