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

Systemtic Name: N-(4-bromophenyl)-2-[(4-fluorophenyl)-isoquinolin-5-ylsulfonyl-amino]ethanamide Openeye Name: N-(4-bromophenyl)-2-[4-fluoro-N-(5-isoquinolylsulfonyl)anilino]acetamide CAS Name: N-(4-bromophenyl)-2-[4-fluoro-N-(5-isoquinolinylsulfonyl)anilino]acetamide IUPAC Name: N-(4-bromophenyl)-2-(4-fluoro-N-isoquinolin-5-ylsulfonylanilino)acetamide Traditional Name: N-(4-bromophenyl)-2-[4-fluoro-N-(5-isoquinolylsulfonyl)anilino]acetamide Formula: C23H17BrFN3O3S MolecularWeight: 514.366783

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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)Br)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)Br)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H17BrFN3O3S/c24-17-4-8-19(9-5-17)27-23(29)15-28(20-10-6-18(25)7-11-20)32(30,31)22-3-1-2-16-14-26-13-12-21(16)22/h1-14H,15H2,(H,27,29)