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

Systemtic Name: 2-[2-[1-(1-azanylisoquinolin-7-yl)oxy-3-phenyl-propan-2-yl]-1-oxidanylidene-3H-isoindol-5-yl]benzenesulfonamide Openeye Name: 2-[2-[1-[(1-amino-7-isoquinolyl)oxymethyl]-2-phenyl-ethyl]-1-oxo-isoindolin-5-yl]benzenesulfonamide CAS Name: 2-[2-[1-[(1-amino-7-isoquinolinyl)oxy]-3-phenylpropan-2-yl]-1-oxo-3H-isoindol-5-yl]benzenesulfonamide IUPAC Name: 2-[2-[1-(1-aminoisoquinolin-7-yl)oxy-3-phenylpropan-2-yl]-1-oxo-3H-isoindol-5-yl]benzenesulfonamide Traditional Name: 2-[2-[1-[(1-amino-7-isoquinolyl)oxymethyl]-2-phenyl-ethyl]-1-keto-isoindolin-5-yl]benzenesulfonamide Formula: C32H28N4O4S MolecularWeight: 564.65412

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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(CC4=CC=CC=C4)COC5=CC6=C(C=C5)C=CN=C6N

Isomeric SMILES

C1C2=C(C=CC(=C2)C3=CC=CC=C3S(=O)(=O)N)C(=O)N1C(CC4=CC=CC=C4)COC5=CC6=C(C=C5)C=CN=C6N

InChI

InChI=1S/C32H28N4O4S/c33-31-29-18-26(12-10-22(29)14-15-35-31)40-20-25(16-21-6-2-1-3-7-21)36-19-24-17-23(11-13-28(24)32(36)37)27-8-4-5-9-30(27)41(34,38)39/h1-15,17-18,25H,16,19-20H2,(H2,33,35)(H2,34,38,39)