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

Systemtic Name: 2-[3-cyano-4-[3-piperidin-1-ylsulfonyl-5-(trifluoromethyl)phenyl]pyrrol-1-yl]ethanoic acid Openeye Name: 2-[3-cyano-4-[3-(1-piperidylsulfonyl)-5-(trifluoromethyl)phenyl]pyrrol-1-yl]acetic acid CAS Name: 2-[3-cyano-4-[3-(1-piperidinylsulfonyl)-5-(trifluoromethyl)phenyl]-1-pyrrolyl]acetic acid IUPAC Name: 2-[3-cyano-4-[3-piperidin-1-ylsulfonyl-5-(trifluoromethyl)phenyl]pyrrol-1-yl]acetic acid Traditional Name: 2-[3-cyano-4-[3-piperidinosulfonyl-5-(trifluoromethyl)phenyl]pyrrol-1-yl]acetic acid Formula: C19H18F3N3O4S MolecularWeight: 441.42413

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=CC(=C2)C(F)(F)F)C3=CN(C=C3C#N)CC(=O)O

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=CC(=C2)C(F)(F)F)C3=CN(C=C3C#N)CC(=O)O

InChI

InChI=1S/C19H18F3N3O4S/c20-19(21,22)15-6-13(17-11-24(12-18(26)27)10-14(17)9-23)7-16(8-15)30(28,29)25-4-2-1-3-5-25/h6-8,10-11H,1-5,12H2,(H,26,27)