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

Systemtic Name: ethyl 2-[3-cyano-6-(4-fluorophenyl)-5-(phenylsulfonylamino)pyridin-2-yl]sulfanylethanoate Openeye Name: ethyl 2-[[5-(benzenesulfonamido)-3-cyano-6-(4-fluorophenyl)-2-pyridyl]sulfanyl]acetate CAS Name: 2-[[5-(benzenesulfonamido)-3-cyano-6-(4-fluorophenyl)-2-pyridinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[5-(benzenesulfonamido)-3-cyano-6-(4-fluorophenyl)pyridin-2-yl]sulfanylacetate Traditional Name: 2-[[5-(benzenesulfonamido)-3-cyano-6-(4-fluorophenyl)-2-pyridyl]thio]acetic acid ethyl ester Formula: C22H18FN3O4S2 MolecularWeight: 471.524423

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC(=C(C=C1C#N)NS(=O)(=O)C2=CC=CC=C2)C3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)CSC1=NC(=C(C=C1C#N)NS(=O)(=O)C2=CC=CC=C2)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H18FN3O4S2/c1-2-30-20(27)14-31-22-16(13-24)12-19(21(25-22)15-8-10-17(23)11-9-15)26-32(28,29)18-6-4-3-5-7-18/h3-12,26H,2,14H2,1H3