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

Systemtic Name: 2-[(4-fluorophenyl)-isoquinolin-5-ylsulfonyl-amino]-N-(2-methoxyethyl)ethanamide Openeye Name: 2-[4-fluoro-N-(5-isoquinolylsulfonyl)anilino]-N-(2-methoxyethyl)acetamide CAS Name: 2-[4-fluoro-N-(5-isoquinolinylsulfonyl)anilino]-N-(2-methoxyethyl)acetamide IUPAC Name: 2-(4-fluoro-N-isoquinolin-5-ylsulfonylanilino)-N-(2-methoxyethyl)acetamide Traditional Name: 2-[4-fluoro-N-(5-isoquinolylsulfonyl)anilino]-N-(2-methoxyethyl)acetamide Formula: C20H20FN3O4S MolecularWeight: 417.453903

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC(=O)CN(C1=CC=C(C=C1)F)S(=O)(=O)C2=CC=CC3=C2C=CN=C3

Isomeric SMILES

COCCNC(=O)CN(C1=CC=C(C=C1)F)S(=O)(=O)C2=CC=CC3=C2C=CN=C3

InChI

InChI=1S/C20H20FN3O4S/c1-28-12-11-23-20(25)14-24(17-7-5-16(21)6-8-17)29(26,27)19-4-2-3-15-13-22-10-9-18(15)19/h2-10,13H,11-12,14H2,1H3,(H,23,25)