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

Systemtic Name: 2-[(4-fluorophenyl)-isoquinolin-5-ylsulfonyl-amino]-N-(4-nitrophenyl)ethanamide Openeye Name: 2-[4-fluoro-N-(5-isoquinolylsulfonyl)anilino]-N-(4-nitrophenyl)acetamide CAS Name: 2-[4-fluoro-N-(5-isoquinolinylsulfonyl)anilino]-N-(4-nitrophenyl)acetamide IUPAC Name: 2-(4-fluoro-N-isoquinolin-5-ylsulfonylanilino)-N-(4-nitrophenyl)acetamide Traditional Name: 2-[4-fluoro-N-(5-isoquinolylsulfonyl)anilino]-N-(4-nitrophenyl)acetamide Formula: C23H17FN4O5S MolecularWeight: 480.468283

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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)[N+](=O)[O-])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)[N+](=O)[O-])C4=CC=C(C=C4)F

InChI

InChI=1S/C23H17FN4O5S/c24-17-4-8-19(9-5-17)27(15-23(29)26-18-6-10-20(11-7-18)28(30)31)34(32,33)22-3-1-2-16-14-25-13-12-21(16)22/h1-14H,15H2,(H,26,29)