N-[5-[5-chloranyl-4-(trifluoromethyl)pyrimidin-2-yl]-2-cyano-4-fluoranyl-phenyl]-N-ethylsulfonyl-ethanesulfonamide

Systemtic Name: N-[5-[5-chloranyl-4-(trifluoromethyl)pyrimidin-2-yl]-2-cyano-4-fluoranyl-phenyl]-N-ethylsulfonyl-ethanesulfonamide Openeye Name: N-[5-[5-chloro-4-(trifluoromethyl)pyrimidin-2-yl]-2-cyano-4-fluoro-phenyl]-N-ethylsulfonyl-ethanesulfonamide CAS Name: N-[5-[5-chloro-4-(trifluoromethyl)-2-pyrimidinyl]-2-cyano-4-fluorophenyl]-N-ethylsulfonylethanesulfonamide IUPAC Name: N-[5-[5-chloro-4-(trifluoromethyl)pyrimidin-2-yl]-2-cyano-4-fluorophenyl]-N-ethylsulfonylethanesulfonamide Traditional Name: N-[5-[5-chloro-4-(trifluoromethyl)pyrimidin-2-yl]-2-cyano-4-fluoro-phenyl]-N-esyl-ethanesulfonamide Formula: C16H13ClF4N4O4S2 MolecularWeight: 500.875433

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N(C1=CC(=C(C=C1C#N)F)C2=NC=C(C(=N2)C(F)(F)F)Cl)S(=O)(=O)CC

Isomeric SMILES

CCS(=O)(=O)N(C1=CC(=C(C=C1C#N)F)C2=NC=C(C(=N2)C(F)(F)F)Cl)S(=O)(=O)CC

InChI

InChI=1S/C16H13ClF4N4O4S2/c1-3-30(26,27)25(31(28,29)4-2)13-6-10(12(18)5-9(13)7-22)15-23-8-11(17)14(24-15)16(19,20)21/h5-6,8H,3-4H2,1-2H3