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

Systemtic Name: 2-[3-[3-butylsulfonyl-5-(trifluoromethyl)phenyl]-4-cyano-pyrrol-1-yl]ethanoic acid Openeye Name: 2-[3-[3-butylsulfonyl-5-(trifluoromethyl)phenyl]-4-cyano-pyrrol-1-yl]acetic acid CAS Name: 2-[3-[3-butylsulfonyl-5-(trifluoromethyl)phenyl]-4-cyano-1-pyrrolyl]acetic acid IUPAC Name: 2-[3-[3-butylsulfonyl-5-(trifluoromethyl)phenyl]-4-cyanopyrrol-1-yl]acetic acid Traditional Name: 2-[3-[3-butylsulfonyl-5-(trifluoromethyl)phenyl]-4-cyano-pyrrol-1-yl]acetic acid Formula: C18H17F3N2O4S MolecularWeight: 414.39879

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17F3N2O4S/c1-2-3-4-28(26,27)15-6-12(5-14(7-15)18(19,20)21)16-10-23(11-17(24)25)9-13(16)8-22/h5-7,9-10H,2-4,11H2,1H3,(H,24,25)