4-[2-[(4-fluorophenyl)-isoquinolin-5-ylsulfonyl-amino]ethanoylamino]benzamide

Systemtic Name: 4-[2-[(4-fluorophenyl)-isoquinolin-5-ylsulfonyl-amino]ethanoylamino]benzamide Openeye Name: 4-[[2-[4-fluoro-N-(5-isoquinolylsulfonyl)anilino]acetyl]amino]benzamide CAS Name: 4-[[2-[4-fluoro-N-(5-isoquinolinylsulfonyl)anilino]-1-oxoethyl]amino]benzamide IUPAC Name: 4-[[2-(4-fluoro-N-isoquinolin-5-ylsulfonylanilino)acetyl]amino]benzamide Traditional Name: 4-[[2-[4-fluoro-N-(5-isoquinolylsulfonyl)anilino]acetyl]amino]benzamide Formula: C24H19FN4O4S MolecularWeight: 478.495463

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CN=C2)C(=C1)S(=O)(=O)N(CC(=O)NC3=CC=C(C=C3)C(=O)N)C4=CC=C(C=C4)F

Isomeric SMILES

C1=CC2=C(C=CN=C2)C(=C1)S(=O)(=O)N(CC(=O)NC3=CC=C(C=C3)C(=O)N)C4=CC=C(C=C4)F

InChI

InChI=1S/C24H19FN4O4S/c25-18-6-10-20(11-7-18)29(15-23(30)28-19-8-4-16(5-9-19)24(26)31)34(32,33)22-3-1-2-17-14-27-13-12-21(17)22/h1-14H,15H2,(H2,26,31)(H,28,30)