2-[(4-fluorophenyl)-isoquinolin-5-ylsulfonyl-amino]-N-phenethyl-ethanamide

Systemtic Name: 2-[(4-fluorophenyl)-isoquinolin-5-ylsulfonyl-amino]-N-phenethyl-ethanamide Openeye Name: 2-[4-fluoro-N-(5-isoquinolylsulfonyl)anilino]-N-phenethyl-acetamide CAS Name: 2-[4-fluoro-N-(5-isoquinolinylsulfonyl)anilino]-N-phenethylacetamide IUPAC Name: 2-(4-fluoro-N-isoquinolin-5-ylsulfonylanilino)-N-phenethylacetamide Traditional Name: 2-[4-fluoro-N-(5-isoquinolylsulfonyl)anilino]-N-phenethyl-acetamide Formula: C25H22FN3O3S MolecularWeight: 463.523883

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)CN(C2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)CN(C2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C25H22FN3O3S/c26-21-9-11-22(12-10-21)29(18-25(30)28-16-13-19-5-2-1-3-6-19)33(31,32)24-8-4-7-20-17-27-15-14-23(20)24/h1-12,14-15,17H,13,16,18H2,(H,28,30)