2-[[2-(2,1,3-benzothiadiazol-4-ylsulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[2-(2,1,3-benzothiadiazol-4-ylsulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindole-1,3-dione Openeye Name: 2-[[2-(2,1,3-benzothiadiazol-4-ylsulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindoline-1,3-dione CAS Name: 2-[[2-(2,1,3-benzothiadiazol-4-ylsulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[2-(2,1,3-benzothiadiazol-4-ylsulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindole-1,3-dione Traditional Name: 2-[(2-piazthiol-4-ylsulfonyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]isoindoline-1,3-quinone Formula: C24H18N4O4S2 MolecularWeight: 490.55412

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C2=CC=CC=C21)CN3C(=O)C4=CC=CC=C4C3=O)S(=O)(=O)C5=CC=CC6=NSN=C65

Isomeric SMILES

C1CN(C(C2=CC=CC=C21)CN3C(=O)C4=CC=CC=C4C3=O)S(=O)(=O)C5=CC=CC6=NSN=C65

InChI

InChI=1S/C24H18N4O4S2/c29-23-17-8-3-4-9-18(17)24(30)27(23)14-20-16-7-2-1-6-15(16)12-13-28(20)34(31,32)21-11-5-10-19-22(21)26-33-25-19/h1-11,20H,12-14H2