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

Systemtic Name: 2-[3-cyano-4-[3-pyrrolidin-1-ylsulfonyl-5-(trifluoromethyl)phenyl]pyrrol-1-yl]ethanoic acid Openeye Name: 2-[3-cyano-4-[3-pyrrolidin-1-ylsulfonyl-5-(trifluoromethyl)phenyl]pyrrol-1-yl]acetic acid CAS Name: 2-[3-cyano-4-[3-(1-pyrrolidinylsulfonyl)-5-(trifluoromethyl)phenyl]-1-pyrrolyl]acetic acid IUPAC Name: 2-[3-cyano-4-[3-pyrrolidin-1-ylsulfonyl-5-(trifluoromethyl)phenyl]pyrrol-1-yl]acetic acid Traditional Name: 2-[3-cyano-4-[3-pyrrolidinosulfonyl-5-(trifluoromethyl)phenyl]pyrrol-1-yl]acetic acid Formula: C18H16F3N3O4S MolecularWeight: 427.39755

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=CC(=C2)C(F)(F)F)C3=CN(C=C3C#N)CC(=O)O

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=CC(=C2)C(F)(F)F)C3=CN(C=C3C#N)CC(=O)O

InChI

InChI=1S/C18H16F3N3O4S/c19-18(20,21)14-5-12(16-10-23(11-17(25)26)9-13(16)8-22)6-15(7-14)29(27,28)24-3-1-2-4-24/h5-7,9-10H,1-4,11H2,(H,25,26)