2-[[2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindole-1,3-dione Openeye Name: 2-[[2-(1-propanoylindolin-5-yl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindoline-1,3-dione CAS Name: 2-[[2-[[1-(1-oxopropyl)-2,3-dihydroindol-5-yl]sulfonyl]-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindole-1,3-dione Traditional Name: 2-[[2-(1-propionylindolin-5-yl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindoline-1,3-quinone Formula: C29H27N3O5S MolecularWeight: 529.60678

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCC2=C1C=CC(=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3CN5C(=O)C6=CC=CC=C6C5=O

Isomeric SMILES

CCC(=O)N1CCC2=C1C=CC(=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3CN5C(=O)C6=CC=CC=C6C5=O

InChI

InChI=1S/C29H27N3O5S/c1-2-27(33)30-15-13-20-17-21(11-12-25(20)30)38(36,37)32-16-14-19-7-3-4-8-22(19)26(32)18-31-28(34)23-9-5-6-10-24(23)29(31)35/h3-12,17,26H,2,13-16,18H2,1H3