2-[[2-[(2-oxidanylidene-3H-1,3-benzoxazol-6-yl)sulfonyl]-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[2-[(2-oxidanylidene-3H-1,3-benzoxazol-6-yl)sulfonyl]-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindole-1,3-dione Openeye Name: 2-[[2-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonyl]-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindoline-1,3-dione CAS Name: 2-[[2-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonyl]-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[2-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonyl]-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindole-1,3-dione Traditional Name: 2-[[2-[(2-keto-3H-1,3-benzoxazol-6-yl)sulfonyl]-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindoline-1,3-quinone Formula: C25H19N3O6S MolecularWeight: 489.49986

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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=CC6=C(C=C5)NC(=O)O6

Isomeric SMILES

C1CN(C(C2=CC=CC=C21)CN3C(=O)C4=CC=CC=C4C3=O)S(=O)(=O)C5=CC6=C(C=C5)NC(=O)O6

InChI

InChI=1S/C25H19N3O6S/c29-23-18-7-3-4-8-19(18)24(30)27(23)14-21-17-6-2-1-5-15(17)11-12-28(21)35(32,33)16-9-10-20-22(13-16)34-25(31)26-20/h1-10,13,21H,11-12,14H2,(H,26,31)