N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-fluorophenyl)-isoquinolin-5-ylsulfonyl-amino]ethanamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-fluorophenyl)-isoquinolin-5-ylsulfonyl-amino]ethanamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-fluoro-N-(5-isoquinolylsulfonyl)anilino]acetamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-fluoro-N-(5-isoquinolinylsulfonyl)anilino]acetamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-fluoro-N-isoquinolin-5-ylsulfonylanilino)acetamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-fluoro-N-(5-isoquinolylsulfonyl)anilino]acetamide Formula: C25H20FN3O5S MolecularWeight: 493.506803

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)NC(=O)CN(C3=CC=C(C=C3)F)S(=O)(=O)C4=CC=CC5=C4C=CN=C5

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)NC(=O)CN(C3=CC=C(C=C3)F)S(=O)(=O)C4=CC=CC5=C4C=CN=C5

InChI

InChI=1S/C25H20FN3O5S/c26-18-4-7-20(8-5-18)29(35(31,32)24-3-1-2-17-15-27-11-10-21(17)24)16-25(30)28-19-6-9-22-23(14-19)34-13-12-33-22/h1-11,14-15H,12-13,16H2,(H,28,30)