N-[3-(4-methylphenyl)sulfonyl-1-phenethyl-pyrrolo[3,2-b]quinoxalin-2-yl]-4-nitro-benzenesulfonamide

Systemtic Name: N-[3-(4-methylphenyl)sulfonyl-1-phenethyl-pyrrolo[3,2-b]quinoxalin-2-yl]-4-nitro-benzenesulfonamide Openeye Name: 4-nitro-N-[1-phenethyl-3-(p-tolylsulfonyl)pyrrolo[3,2-b]quinoxalin-2-yl]benzenesulfonamide CAS Name: N-[3-(4-methylphenyl)sulfonyl-1-phenethyl-2-pyrrolo[3,2-b]quinoxalinyl]-4-nitrobenzenesulfonamide IUPAC Name: N-[3-(4-methylphenyl)sulfonyl-1-phenethylpyrrolo[3,2-b]quinoxalin-2-yl]-4-nitrobenzenesulfonamide Traditional Name: 4-nitro-N-(1-phenethyl-3-tosyl-pyrrolo[3,2-b]quinoxalin-2-yl)benzenesulfonamide Formula: C31H25N5O6S2 MolecularWeight: 627.6901

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=C(N(C3=NC4=CC=CC=C4N=C23)CCC5=CC=CC=C5)NS(=O)(=O)C6=CC=C(C=C6)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C(N(C3=NC4=CC=CC=C4N=C23)CCC5=CC=CC=C5)NS(=O)(=O)C6=CC=C(C=C6)[N+](=O)[O-]

InChI

InChI=1S/C31H25N5O6S2/c1-21-11-15-24(16-12-21)43(39,40)29-28-30(33-27-10-6-5-9-26(27)32-28)35(20-19-22-7-3-2-4-8-22)31(29)34-44(41,42)25-17-13-23(14-18-25)36(37)38/h2-18,34H,19-20H2,1H3