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

Systemtic Name: N-(1,3-benzothiazol-2-yl)-2-[(4-fluorophenyl)-isoquinolin-5-ylsulfonyl-amino]ethanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-2-[4-fluoro-N-(5-isoquinolylsulfonyl)anilino]acetamide CAS Name: N-(1,3-benzothiazol-2-yl)-2-[4-fluoro-N-(5-isoquinolinylsulfonyl)anilino]acetamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-2-(4-fluoro-N-isoquinolin-5-ylsulfonylanilino)acetamide Traditional Name: N-(1,3-benzothiazol-2-yl)-2-[4-fluoro-N-(5-isoquinolylsulfonyl)anilino]acetamide Formula: C24H17FN4O3S2 MolecularWeight: 492.545183

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)NC(=O)CN(C3=CC=C(C=C3)F)S(=O)(=O)C4=CC=CC5=C4C=CN=C5

Isomeric SMILES

C1=CC=C2C(=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/C24H17FN4O3S2/c25-17-8-10-18(11-9-17)29(15-23(30)28-24-27-20-5-1-2-6-21(20)33-24)34(31,32)22-7-3-4-16-14-26-13-12-19(16)22/h1-14H,15H2,(H,27,28,30)