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

Systemtic Name: 2-[[2-(phenylmethyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindole-1,3-dione Openeye Name: 2-[(2-benzylsulfonyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]isoindoline-1,3-dione CAS Name: 2-[[2-(phenylmethyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindole-1,3-dione IUPAC Name: 2-[(2-benzylsulfonyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]isoindole-1,3-dione Traditional Name: 2-[(2-benzylsulfonyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]isoindoline-1,3-quinone Formula: C25H22N2O4S MolecularWeight: 446.51818

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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)CC5=CC=CC=C5

Isomeric SMILES

C1CN(C(C2=CC=CC=C21)CN3C(=O)C4=CC=CC=C4C3=O)S(=O)(=O)CC5=CC=CC=C5

InChI

InChI=1S/C25H22N2O4S/c28-24-21-12-6-7-13-22(21)25(29)26(24)16-23-20-11-5-4-10-19(20)14-15-27(23)32(30,31)17-18-8-2-1-3-9-18/h1-13,23H,14-17H2