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

Systemtic Name: 2-[(4-fluorophenyl)-isoquinolin-5-ylsulfonyl-amino]-N-(4-methyl-1,3-thiazol-2-yl)ethanamide Openeye Name: 2-[4-fluoro-N-(5-isoquinolylsulfonyl)anilino]-N-(4-methylthiazol-2-yl)acetamide CAS Name: 2-[4-fluoro-N-(5-isoquinolinylsulfonyl)anilino]-N-(4-methyl-2-thiazolyl)acetamide IUPAC Name: 2-(4-fluoro-N-isoquinolin-5-ylsulfonylanilino)-N-(4-methyl-1,3-thiazol-2-yl)acetamide Traditional Name: 2-[4-fluoro-N-(5-isoquinolylsulfonyl)anilino]-N-(4-methylthiazol-2-yl)acetamide Formula: C21H17FN4O3S2 MolecularWeight: 456.513083

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)NC(=O)CN(C2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

Isomeric SMILES

CC1=CSC(=N1)NC(=O)CN(C2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C21H17FN4O3S2/c1-14-13-30-21(24-14)25-20(27)12-26(17-7-5-16(22)6-8-17)31(28,29)19-4-2-3-15-11-23-10-9-18(15)19/h2-11,13H,12H2,1H3,(H,24,25,27)