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

Systemtic Name: N-[(2-chlorophenyl)methyl]-2-[(4-fluorophenyl)-isoquinolin-5-ylsulfonyl-amino]ethanamide Openeye Name: N-[(2-chlorophenyl)methyl]-2-[4-fluoro-N-(5-isoquinolylsulfonyl)anilino]acetamide CAS Name: N-[(2-chlorophenyl)methyl]-2-[4-fluoro-N-(5-isoquinolinylsulfonyl)anilino]acetamide IUPAC Name: N-[(2-chlorophenyl)methyl]-2-(4-fluoro-N-isoquinolin-5-ylsulfonylanilino)acetamide Traditional Name: N-(2-chlorobenzyl)-2-[4-fluoro-N-(5-isoquinolylsulfonyl)anilino]acetamide Formula: C24H19ClFN3O3S MolecularWeight: 483.942363

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H19ClFN3O3S/c25-22-6-2-1-4-18(22)15-28-24(30)16-29(20-10-8-19(26)9-11-20)33(31,32)23-7-3-5-17-14-27-13-12-21(17)23/h1-14H,15-16H2,(H,28,30)