N-[5-(5-chloranyl-6-propan-2-yl-pyrimidin-4-yl)-2-cyano-4-fluoranyl-phenyl]ethanesulfonamide

Systemtic Name: N-[5-(5-chloranyl-6-propan-2-yl-pyrimidin-4-yl)-2-cyano-4-fluoranyl-phenyl]ethanesulfonamide Openeye Name: N-[5-(5-chloro-6-isopropyl-pyrimidin-4-yl)-2-cyano-4-fluoro-phenyl]ethanesulfonamide CAS Name: N-[5-(5-chloro-6-propan-2-yl-4-pyrimidinyl)-2-cyano-4-fluorophenyl]ethanesulfonamide IUPAC Name: N-[5-(5-chloro-6-propan-2-ylpyrimidin-4-yl)-2-cyano-4-fluorophenyl]ethanesulfonamide Traditional Name: N-[5-(5-chloro-6-isopropyl-pyrimidin-4-yl)-2-cyano-4-fluoro-phenyl]ethanesulfonamide Formula: C16H16ClFN4O2S MolecularWeight: 382.840243

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)NC1=CC(=C(C=C1C#N)F)C2=C(C(=NC=N2)C(C)C)Cl

Isomeric SMILES

CCS(=O)(=O)NC1=CC(=C(C=C1C#N)F)C2=C(C(=NC=N2)C(C)C)Cl

InChI

InChI=1S/C16H16ClFN4O2S/c1-4-25(23,24)22-13-6-11(12(18)5-10(13)7-19)16-14(17)15(9(2)3)20-8-21-16/h5-6,8-9,22H,4H2,1-3H3