2-[[2-(1H-imidazol-5-ylsulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[2-(1H-imidazol-5-ylsulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindole-1,3-dione Openeye Name: 2-[[2-(1H-imidazol-5-ylsulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindoline-1,3-dione CAS Name: 2-[[2-(1H-imidazol-5-ylsulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[2-(1H-imidazol-5-ylsulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindole-1,3-dione Traditional Name: 2-[[2-(1H-imidazol-5-ylsulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindoline-1,3-quinone Formula: C21H18N4O4S MolecularWeight: 422.45702

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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=CN=CN5

Isomeric SMILES

C1CN(C(C2=CC=CC=C21)CN3C(=O)C4=CC=CC=C4C3=O)S(=O)(=O)C5=CN=CN5

InChI

InChI=1S/C21H18N4O4S/c26-20-16-7-3-4-8-17(16)21(27)24(20)12-18-15-6-2-1-5-14(15)9-10-25(18)30(28,29)19-11-22-13-23-19/h1-8,11,13,18H,9-10,12H2,(H,22,23)