(Z)-N-[5-[2-(tert-butylsulfamoyl)phenyl]pyridin-2-yl]-2-fluoranyl-3-isoquinolin-7-yl-but-2-enamide

Systemtic Name: (Z)-N-[5-[2-(tert-butylsulfamoyl)phenyl]pyridin-2-yl]-2-fluoranyl-3-isoquinolin-7-yl-but-2-enamide Openeye Name: (Z)-N-[5-[2-(tert-butylsulfamoyl)phenyl]-2-pyridyl]-2-fluoro-3-(7-isoquinolyl)but-2-enamide CAS Name: (Z)-N-[5-[2-(tert-butylsulfamoyl)phenyl]-2-pyridinyl]-2-fluoro-3-(7-isoquinolinyl)-2-butenamide IUPAC Name: (Z)-N-[5-[2-(tert-butylsulfamoyl)phenyl]pyridin-2-yl]-2-fluoro-3-isoquinolin-7-ylbut-2-enamide Traditional Name: (Z)-N-[5-[2-(tert-butylsulfamoyl)phenyl]-2-pyridyl]-2-fluoro-3-(7-isoquinolyl)but-2-enamide Formula: C28H27FN4O3S MolecularWeight: 518.602383

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C(=O)NC1=NC=C(C=C1)C2=CC=CC=C2S(=O)(=O)NC(C)(C)C)F)C3=CC4=C(C=C3)C=CN=C4

Isomeric SMILES

C/C(=C(\C(=O)NC1=NC=C(C=C1)C2=CC=CC=C2S(=O)(=O)NC(C)(C)C)/F)/C3=CC4=C(C=C3)C=CN=C4

InChI

InChI=1S/C28H27FN4O3S/c1-18(20-10-9-19-13-14-30-16-22(19)15-20)26(29)27(34)32-25-12-11-21(17-31-25)23-7-5-6-8-24(23)37(35,36)33-28(2,3)4/h5-17,33H,1-4H3,(H,31,32,34)/b26-18-