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

Systemtic Name: 2-[(4-fluorophenyl)-isoquinolin-5-ylsulfonyl-amino]-N-propyl-ethanamide Openeye Name: 2-[4-fluoro-N-(5-isoquinolylsulfonyl)anilino]-N-propyl-acetamide CAS Name: 2-[4-fluoro-N-(5-isoquinolinylsulfonyl)anilino]-N-propylacetamide IUPAC Name: 2-(4-fluoro-N-isoquinolin-5-ylsulfonylanilino)-N-propylacetamide Traditional Name: 2-[4-fluoro-N-(5-isoquinolylsulfonyl)anilino]-N-propyl-acetamide Formula: C20H20FN3O3S MolecularWeight: 401.454503

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20FN3O3S/c1-2-11-23-20(25)14-24(17-8-6-16(21)7-9-17)28(26,27)19-5-3-4-15-13-22-12-10-18(15)19/h3-10,12-13H,2,11,14H2,1H3,(H,23,25)