4-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide

Systemtic Name: 4-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide Openeye Name: 4-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide CAS Name: 4-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonylbenzamide IUPAC Name: 4-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonylbenzamide Traditional Name: 4-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonyl-benzamide Formula: C31H30N4O6S2 MolecularWeight: 618.7231

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(CN(CC2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)NCCSC5=CC=CC=C5)[N+](=O)[O-])C=C1

Isomeric SMILES

COC1=CC2=C(CN(CC2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)NCCSC5=CC=CC=C5)[N+](=O)[O-])C=C1

InChI

InChI=1S/C31H30N4O6S2/c1-41-26-12-9-24-21-34(17-15-23(24)19-26)25-10-7-22(8-11-25)31(36)33-43(39,40)28-13-14-29(30(20-28)35(37)38)32-16-18-42-27-5-3-2-4-6-27/h2-14,19-20,32H,15-18,21H2,1H3,(H,33,36)