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

Systemtic Name: 2-[[2-(5-chloranylthiophen-2-yl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindole-1,3-dione Openeye Name: 2-[[2-[(5-chloro-2-thienyl)sulfonyl]-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindoline-1,3-dione CAS Name: 2-[[2-[(5-chloro-2-thiophenyl)sulfonyl]-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[2-(5-chlorothiophen-2-yl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindole-1,3-dione Traditional Name: 2-[[2-[(5-chloro-2-thienyl)sulfonyl]-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindoline-1,3-quinone Formula: C22H17ClN2O4S2 MolecularWeight: 472.96438

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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=C(S5)Cl

Isomeric SMILES

C1CN(C(C2=CC=CC=C21)CN3C(=O)C4=CC=CC=C4C3=O)S(=O)(=O)C5=CC=C(S5)Cl

InChI

InChI=1S/C22H17ClN2O4S2/c23-19-9-10-20(30-19)31(28,29)25-12-11-14-5-1-2-6-15(14)18(25)13-24-21(26)16-7-3-4-8-17(16)22(24)27/h1-10,18H,11-13H2