2-[2-[2-(1-azanylisoquinolin-7-yl)oxy-1-phenyl-ethyl]-1-oxidanylidene-3H-isoindol-5-yl]benzenesulfonamide

Systemtic Name: 2-[2-[2-(1-azanylisoquinolin-7-yl)oxy-1-phenyl-ethyl]-1-oxidanylidene-3H-isoindol-5-yl]benzenesulfonamide Openeye Name: 2-[2-[2-[(1-amino-7-isoquinolyl)oxy]-1-phenyl-ethyl]-1-oxo-isoindolin-5-yl]benzenesulfonamide CAS Name: 2-[2-[2-[(1-amino-7-isoquinolinyl)oxy]-1-phenylethyl]-1-oxo-3H-isoindol-5-yl]benzenesulfonamide IUPAC Name: 2-[2-[2-(1-aminoisoquinolin-7-yl)oxy-1-phenylethyl]-1-oxo-3H-isoindol-5-yl]benzenesulfonamide Traditional Name: 2-[2-[2-[(1-amino-7-isoquinolyl)oxy]-1-phenyl-ethyl]-1-keto-isoindolin-5-yl]benzenesulfonamide Formula: C31H26N4O4S MolecularWeight: 550.62754

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=CC(=C2)C3=CC=CC=C3S(=O)(=O)N)C(=O)N1C(COC4=CC5=C(C=C4)C=CN=C5N)C6=CC=CC=C6

Isomeric SMILES

C1C2=C(C=CC(=C2)C3=CC=CC=C3S(=O)(=O)N)C(=O)N1C(COC4=CC5=C(C=C4)C=CN=C5N)C6=CC=CC=C6

InChI

InChI=1S/C31H26N4O4S/c32-30-27-17-24(12-10-20(27)14-15-34-30)39-19-28(21-6-2-1-3-7-21)35-18-23-16-22(11-13-26(23)31(35)36)25-8-4-5-9-29(25)40(33,37)38/h1-17,28H,18-19H2,(H2,32,34)(H2,33,37,38)