2-[(4-fluorophenyl)-isoquinolin-5-ylsulfonyl-amino]-N-(5-methyl-1,2-oxazol-3-yl)ethanamide

Systemtic Name: 2-[(4-fluorophenyl)-isoquinolin-5-ylsulfonyl-amino]-N-(5-methyl-1,2-oxazol-3-yl)ethanamide Openeye Name: 2-[4-fluoro-N-(5-isoquinolylsulfonyl)anilino]-N-(5-methylisoxazol-3-yl)acetamide CAS Name: 2-[4-fluoro-N-(5-isoquinolinylsulfonyl)anilino]-N-(5-methyl-3-isoxazolyl)acetamide IUPAC Name: 2-(4-fluoro-N-isoquinolin-5-ylsulfonylanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide Traditional Name: 2-[4-fluoro-N-(5-isoquinolylsulfonyl)anilino]-N-(5-methylisoxazol-3-yl)acetamide Formula: C21H17FN4O4S MolecularWeight: 440.447483

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)CN(C2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

Isomeric SMILES

CC1=CC(=NO1)NC(=O)CN(C2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C21H17FN4O4S/c1-14-11-20(25-30-14)24-21(27)13-26(17-7-5-16(22)6-8-17)31(28,29)19-4-2-3-15-12-23-10-9-18(15)19/h2-12H,13H2,1H3,(H,24,25,27)