N-(3-acetamidophenyl)-2-[(4-fluorophenyl)-isoquinolin-5-ylsulfonyl-amino]ethanamide

Systemtic Name: N-(3-acetamidophenyl)-2-[(4-fluorophenyl)-isoquinolin-5-ylsulfonyl-amino]ethanamide Openeye Name: N-(3-acetamidophenyl)-2-[4-fluoro-N-(5-isoquinolylsulfonyl)anilino]acetamide CAS Name: N-(3-acetamidophenyl)-2-[4-fluoro-N-(5-isoquinolinylsulfonyl)anilino]acetamide IUPAC Name: N-(3-acetamidophenyl)-2-(4-fluoro-N-isoquinolin-5-ylsulfonylanilino)acetamide Traditional Name: N-(3-acetamidophenyl)-2-[4-fluoro-N-(5-isoquinolylsulfonyl)anilino]acetamide Formula: C25H21FN4O4S MolecularWeight: 492.522043

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=CC=C1)NC(=O)CN(C2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

Isomeric SMILES

CC(=O)NC1=CC(=CC=C1)NC(=O)CN(C2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C25H21FN4O4S/c1-17(31)28-20-5-3-6-21(14-20)29-25(32)16-30(22-10-8-19(26)9-11-22)35(33,34)24-7-2-4-18-15-27-13-12-23(18)24/h2-15H,16H2,1H3,(H,28,31)(H,29,32)