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

Systemtic Name: 2-[(4-fluorophenyl)-isoquinolin-5-ylsulfonyl-amino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)ethanamide Openeye Name: 2-[4-fluoro-N-(5-isoquinolylsulfonyl)anilino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide CAS Name: 2-[4-fluoro-N-(5-isoquinolinylsulfonyl)anilino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide IUPAC Name: 2-(4-fluoro-N-isoquinolin-5-ylsulfonylanilino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide Traditional Name: 2-[4-fluoro-N-(5-isoquinolylsulfonyl)anilino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide Formula: C20H16FN5O3S2 MolecularWeight: 457.501143

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(S1)NC(=O)CN(C2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

Isomeric SMILES

CC1=NN=C(S1)NC(=O)CN(C2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C20H16FN5O3S2/c1-13-24-25-20(30-13)23-19(27)12-26(16-7-5-15(21)6-8-16)31(28,29)18-4-2-3-14-11-22-10-9-17(14)18/h2-11H,12H2,1H3,(H,23,25,27)