2-[(2-quinolin-8-ylsulfonyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]isoindole-1,3-dione

Systemtic Name: 2-[(2-quinolin-8-ylsulfonyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]isoindole-1,3-dione Openeye Name: 2-[[2-(8-quinolylsulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindoline-1,3-dione CAS Name: 2-[[2-(8-quinolinylsulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindole-1,3-dione IUPAC Name: 2-[(2-quinolin-8-ylsulfonyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]isoindole-1,3-dione Traditional Name: 2-[[2-(8-quinolylsulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindoline-1,3-quinone Formula: C27H21N3O4S MolecularWeight: 483.53834

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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=C5N=CC=C6

Isomeric SMILES

C1CN(C(C2=CC=CC=C21)CN3C(=O)C4=CC=CC=C4C3=O)S(=O)(=O)C5=CC=CC6=C5N=CC=C6

InChI

InChI=1S/C27H21N3O4S/c31-26-21-11-3-4-12-22(21)27(32)29(26)17-23-20-10-2-1-7-18(20)14-16-30(23)35(33,34)24-13-5-8-19-9-6-15-28-25(19)24/h1-13,15,23H,14,16-17H2