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

Systemtic Name: 2-[(4-fluorophenyl)-isoquinolin-5-ylsulfonyl-amino]-N-(oxolan-2-ylmethyl)ethanamide Openeye Name: 2-[4-fluoro-N-(5-isoquinolylsulfonyl)anilino]-N-(tetrahydrofuran-2-ylmethyl)acetamide CAS Name: 2-[4-fluoro-N-(5-isoquinolinylsulfonyl)anilino]-N-(2-oxolanylmethyl)acetamide IUPAC Name: 2-(4-fluoro-N-isoquinolin-5-ylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide Traditional Name: 2-[4-fluoro-N-(5-isoquinolylsulfonyl)anilino]-N-(tetrahydrofurfuryl)acetamide Formula: C22H22FN3O4S MolecularWeight: 443.491183

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC(=O)CN(C2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

Isomeric SMILES

C1CC(OC1)CNC(=O)CN(C2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C22H22FN3O4S/c23-17-6-8-18(9-7-17)26(15-22(27)25-14-19-4-2-12-30-19)31(28,29)21-5-1-3-16-13-24-11-10-20(16)21/h1,3,5-11,13,19H,2,4,12,14-15H2,(H,25,27)