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

Systemtic Name: N-[3-(4-methylphenyl)sulfonyl-1-phenyl-pyrrolo[3,2-b]quinoxalin-2-yl]-4-nitro-benzenesulfonamide Openeye Name: 4-nitro-N-[1-phenyl-3-(p-tolylsulfonyl)pyrrolo[3,2-b]quinoxalin-2-yl]benzenesulfonamide CAS Name: N-[3-(4-methylphenyl)sulfonyl-1-phenyl-2-pyrrolo[3,2-b]quinoxalinyl]-4-nitrobenzenesulfonamide IUPAC Name: N-[3-(4-methylphenyl)sulfonyl-1-phenylpyrrolo[3,2-b]quinoxalin-2-yl]-4-nitrobenzenesulfonamide Traditional Name: 4-nitro-N-(1-phenyl-3-tosyl-pyrrolo[3,2-b]quinoxalin-2-yl)benzenesulfonamide Formula: C29H21N5O6S2 MolecularWeight: 599.63694

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C29H21N5O6S2/c1-19-11-15-22(16-12-19)41(37,38)27-26-28(31-25-10-6-5-9-24(25)30-26)33(20-7-3-2-4-8-20)29(27)32-42(39,40)23-17-13-21(14-18-23)34(35)36/h2-18,32H,1H3