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

Systemtic Name: N-[3-(4-methylphenyl)sulfonyl-1-prop-2-enyl-pyrrolo[3,2-b]quinoxalin-2-yl]-4-nitro-benzenesulfonamide Openeye Name: N-[1-allyl-3-(p-tolylsulfonyl)pyrrolo[3,2-b]quinoxalin-2-yl]-4-nitro-benzenesulfonamide CAS Name: N-[3-(4-methylphenyl)sulfonyl-1-prop-2-enyl-2-pyrrolo[3,2-b]quinoxalinyl]-4-nitrobenzenesulfonamide IUPAC Name: N-[3-(4-methylphenyl)sulfonyl-1-prop-2-enylpyrrolo[3,2-b]quinoxalin-2-yl]-4-nitrobenzenesulfonamide Traditional Name: N-(1-allyl-3-tosyl-pyrrolo[3,2-b]quinoxalin-2-yl)-4-nitro-benzenesulfonamide Formula: C26H21N5O6S2 MolecularWeight: 563.60484

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

Isomeric SMILES

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

InChI

InChI=1S/C26H21N5O6S2/c1-3-16-30-25-23(27-21-6-4-5-7-22(21)28-25)24(38(34,35)19-12-8-17(2)9-13-19)26(30)29-39(36,37)20-14-10-18(11-15-20)31(32)33/h3-15,29H,1,16H2,2H3