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

Systemtic Name: 2-[(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]isoindole-1,3-dione Openeye Name: 2-[[2-(2-thienylsulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindoline-1,3-dione CAS Name: 2-[(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]isoindole-1,3-dione IUPAC Name: 2-[(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]isoindole-1,3-dione Traditional Name: 2-[[2-(2-thienylsulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindoline-1,3-quinone Formula: C22H18N2O4S2 MolecularWeight: 438.51932

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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=CS5

Isomeric SMILES

C1CN(C(C2=CC=CC=C21)CN3C(=O)C4=CC=CC=C4C3=O)S(=O)(=O)C5=CC=CS5

InChI

InChI=1S/C22H18N2O4S2/c25-21-17-8-3-4-9-18(17)22(26)23(21)14-19-16-7-2-1-6-15(16)11-12-24(19)30(27,28)20-10-5-13-29-20/h1-10,13,19H,11-12,14H2