N-[3-(4-methylphenyl)sulfonyl-1-octan-3-yl-pyrrolo[3,2-b]quinoxalin-2-yl]-3,5-dinitro-benzamide

Systemtic Name: N-[3-(4-methylphenyl)sulfonyl-1-octan-3-yl-pyrrolo[3,2-b]quinoxalin-2-yl]-3,5-dinitro-benzamide Openeye Name: N-[1-(1-ethylhexyl)-3-(p-tolylsulfonyl)pyrrolo[3,2-b]quinoxalin-2-yl]-3,5-dinitro-benzamide CAS Name: N-[3-(4-methylphenyl)sulfonyl-1-octan-3-yl-2-pyrrolo[3,2-b]quinoxalinyl]-3,5-dinitrobenzamide IUPAC Name: N-[3-(4-methylphenyl)sulfonyl-1-octan-3-ylpyrrolo[3,2-b]quinoxalin-2-yl]-3,5-dinitrobenzamide Traditional Name: N-[1-(1-ethylhexyl)-3-tosyl-pyrrolo[3,2-b]quinoxalin-2-yl]-3,5-dinitro-benzamide Formula: C32H32N6O7S MolecularWeight: 644.69748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC)N1C(=C(C2=NC3=CC=CC=C3N=C21)S(=O)(=O)C4=CC=C(C=C4)C)NC(=O)C5=CC(=CC(=C5)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCCC(CC)N1C(=C(C2=NC3=CC=CC=C3N=C21)S(=O)(=O)C4=CC=C(C=C4)C)NC(=O)C5=CC(=CC(=C5)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C32H32N6O7S/c1-4-6-7-10-22(5-2)36-30-28(33-26-11-8-9-12-27(26)34-30)29(46(44,45)25-15-13-20(3)14-16-25)31(36)35-32(39)21-17-23(37(40)41)19-24(18-21)38(42)43/h8-9,11-19,22H,4-7,10H2,1-3H3,(H,35,39)