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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[(4-fluorophenyl)-isoquinolin-5-ylsulfonyl-amino]ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[4-fluoro-N-(5-isoquinolylsulfonyl)anilino]acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[4-fluoro-N-(5-isoquinolinylsulfonyl)anilino]acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-(4-fluoro-N-isoquinolin-5-ylsulfonylanilino)acetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[4-fluoro-N-(5-isoquinolylsulfonyl)anilino]acetamide Formula: C24H18FN3O5S MolecularWeight: 479.480223

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)CN(C3=CC=C(C=C3)F)S(=O)(=O)C4=CC=CC5=C4C=CN=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)CN(C3=CC=C(C=C3)F)S(=O)(=O)C4=CC=CC5=C4C=CN=C5

InChI

InChI=1S/C24H18FN3O5S/c25-17-4-7-19(8-5-17)28(14-24(29)27-18-6-9-21-22(12-18)33-15-32-21)34(30,31)23-3-1-2-16-13-26-11-10-20(16)23/h1-13H,14-15H2,(H,27,29)