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

Systemtic Name: N-(1,3-benzothiazol-2-yl)-2-[isoquinolin-5-ylsulfonyl-(4-methoxyphenyl)amino]ethanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-2-[N-(5-isoquinolylsulfonyl)-4-methoxy-anilino]acetamide CAS Name: N-(1,3-benzothiazol-2-yl)-2-[N-(5-isoquinolinylsulfonyl)-4-methoxyanilino]acetamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-2-(N-isoquinolin-5-ylsulfonyl-4-methoxyanilino)acetamide Traditional Name: N-(1,3-benzothiazol-2-yl)-2-[N-(5-isoquinolylsulfonyl)-4-methoxy-anilino]acetamide Formula: C25H20N4O4S2 MolecularWeight: 504.5807

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N(CC(=O)NC2=NC3=CC=CC=C3S2)S(=O)(=O)C4=CC=CC5=C4C=CN=C5

Isomeric SMILES

COC1=CC=C(C=C1)N(CC(=O)NC2=NC3=CC=CC=C3S2)S(=O)(=O)C4=CC=CC5=C4C=CN=C5

InChI

InChI=1S/C25H20N4O4S2/c1-33-19-11-9-18(10-12-19)29(16-24(30)28-25-27-21-6-2-3-7-22(21)34-25)35(31,32)23-8-4-5-17-15-26-14-13-20(17)23/h2-15H,16H2,1H3,(H,27,28,30)