ethyl 2-[[3-cyano-6-(4-fluorophenyl)-5-(phenylsulfonylamino)pyridin-2-yl]amino]ethanoate

Systemtic Name: ethyl 2-[[3-cyano-6-(4-fluorophenyl)-5-(phenylsulfonylamino)pyridin-2-yl]amino]ethanoate Openeye Name: ethyl 2-[[5-(benzenesulfonamido)-3-cyano-6-(4-fluorophenyl)-2-pyridyl]amino]acetate CAS Name: 2-[[5-(benzenesulfonamido)-3-cyano-6-(4-fluorophenyl)-2-pyridinyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[5-(benzenesulfonamido)-3-cyano-6-(4-fluorophenyl)pyridin-2-yl]amino]acetate Traditional Name: 2-[[5-(benzenesulfonamido)-3-cyano-6-(4-fluorophenyl)-2-pyridyl]amino]acetic acid ethyl ester Formula: C22H19FN4O4S MolecularWeight: 454.474063

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC1=NC(=C(C=C1C#N)NS(=O)(=O)C2=CC=CC=C2)C3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)CNC1=NC(=C(C=C1C#N)NS(=O)(=O)C2=CC=CC=C2)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H19FN4O4S/c1-2-31-20(28)14-25-22-16(13-24)12-19(21(26-22)15-8-10-17(23)11-9-15)27-32(29,30)18-6-4-3-5-7-18/h3-12,27H,2,14H2,1H3,(H,25,26)