N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-fluorophenyl)-isoquinolin-5-ylsulfonyl-amino]ethanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)CN(C3=CC=C(C=C3)F)S(=O)(=O)C4=CC=CC5=C4C=CN=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)CN(C3=CC=C(C=C3)F)S(=O)(=O)C4=CC=CC5=C4C=CN=C5

InChI

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