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

Systemtic Name: N-[3-(4-methylphenyl)sulfonyl-1-(phenylmethyl)pyrrolo[3,2-b]quinoxalin-2-yl]-4-nitro-benzenesulfonamide Openeye Name: N-[1-benzyl-3-(p-tolylsulfonyl)pyrrolo[3,2-b]quinoxalin-2-yl]-4-nitro-benzenesulfonamide CAS Name: N-[3-(4-methylphenyl)sulfonyl-1-(phenylmethyl)-2-pyrrolo[3,2-b]quinoxalinyl]-4-nitrobenzenesulfonamide IUPAC Name: N-[1-benzyl-3-(4-methylphenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-yl]-4-nitrobenzenesulfonamide Traditional Name: N-(1-benzyl-3-tosyl-pyrrolo[3,2-b]quinoxalin-2-yl)-4-nitro-benzenesulfonamide Formula: C30H23N5O6S2 MolecularWeight: 613.66352

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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)CC5=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)CC5=CC=CC=C5)NS(=O)(=O)C6=CC=C(C=C6)[N+](=O)[O-]

InChI

InChI=1S/C30H23N5O6S2/c1-20-11-15-23(16-12-20)42(38,39)28-27-29(32-26-10-6-5-9-25(26)31-27)34(19-21-7-3-2-4-8-21)30(28)33-43(40,41)24-17-13-22(14-18-24)35(36)37/h2-18,33H,19H2,1H3