2-[(4-fluorophenyl)-isoquinolin-5-ylsulfonyl-amino]-N-(6-methyl-1,3-benzothiazol-2-yl)ethanamide

Systemtic Name: 2-[(4-fluorophenyl)-isoquinolin-5-ylsulfonyl-amino]-N-(6-methyl-1,3-benzothiazol-2-yl)ethanamide Openeye Name: 2-[4-fluoro-N-(5-isoquinolylsulfonyl)anilino]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide CAS Name: 2-[4-fluoro-N-(5-isoquinolinylsulfonyl)anilino]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide IUPAC Name: 2-(4-fluoro-N-isoquinolin-5-ylsulfonylanilino)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-[4-fluoro-N-(5-isoquinolylsulfonyl)anilino]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide Formula: C25H19FN4O3S2 MolecularWeight: 506.571763

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC(=O)CN(C3=CC=C(C=C3)F)S(=O)(=O)C4=CC=CC5=C4C=CN=C5

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC(=O)CN(C3=CC=C(C=C3)F)S(=O)(=O)C4=CC=CC5=C4C=CN=C5

InChI

InChI=1S/C25H19FN4O3S2/c1-16-5-10-21-22(13-16)34-25(28-21)29-24(31)15-30(19-8-6-18(26)7-9-19)35(32,33)23-4-2-3-17-14-27-12-11-20(17)23/h2-14H,15H2,1H3,(H,28,29,31)