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

Systemtic Name: 2-[2-[2-(1-azanylisoquinolin-7-yl)oxyethyl]-1-oxidanylidene-3H-isoindol-5-yl]benzenesulfonamide Openeye Name: 2-[2-[2-[(1-amino-7-isoquinolyl)oxy]ethyl]-1-oxo-isoindolin-5-yl]benzenesulfonamide CAS Name: 2-[2-[2-[(1-amino-7-isoquinolinyl)oxy]ethyl]-1-oxo-3H-isoindol-5-yl]benzenesulfonamide IUPAC Name: 2-[2-[2-(1-aminoisoquinolin-7-yl)oxyethyl]-1-oxo-3H-isoindol-5-yl]benzenesulfonamide Traditional Name: 2-[2-[2-[(1-amino-7-isoquinolyl)oxy]ethyl]-1-keto-isoindolin-5-yl]benzenesulfonamide Formula: C25H22N4O4S MolecularWeight: 474.53158

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=CC(=C2)C3=CC=CC=C3S(=O)(=O)N)C(=O)N1CCOC4=CC5=C(C=C4)C=CN=C5N

Isomeric SMILES

C1C2=C(C=CC(=C2)C3=CC=CC=C3S(=O)(=O)N)C(=O)N1CCOC4=CC5=C(C=C4)C=CN=C5N

InChI

InChI=1S/C25H22N4O4S/c26-24-22-14-19(7-5-16(22)9-10-28-24)33-12-11-29-15-18-13-17(6-8-21(18)25(29)30)20-3-1-2-4-23(20)34(27,31)32/h1-10,13-14H,11-12,15H2,(H2,26,28)(H2,27,31,32)