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

Systemtic Name: N-[3-(4-methylphenyl)sulfonyl-1-prop-2-enyl-pyrrolo[3,2-b]quinoxalin-2-yl]-3,5-dinitro-benzamide Openeye Name: N-[1-allyl-3-(p-tolylsulfonyl)pyrrolo[3,2-b]quinoxalin-2-yl]-3,5-dinitro-benzamide CAS Name: N-[3-(4-methylphenyl)sulfonyl-1-prop-2-enyl-2-pyrrolo[3,2-b]quinoxalinyl]-3,5-dinitrobenzamide IUPAC Name: N-[3-(4-methylphenyl)sulfonyl-1-prop-2-enylpyrrolo[3,2-b]quinoxalin-2-yl]-3,5-dinitrobenzamide Traditional Name: N-(1-allyl-3-tosyl-pyrrolo[3,2-b]quinoxalin-2-yl)-3,5-dinitro-benzamide Formula: C27H20N6O7S MolecularWeight: 572.5487

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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)NC(=O)C5=CC(=CC(=C5)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C27H20N6O7S/c1-3-12-31-25-23(28-21-6-4-5-7-22(21)29-25)24(41(39,40)20-10-8-16(2)9-11-20)26(31)30-27(34)17-13-18(32(35)36)15-19(14-17)33(37)38/h3-11,13-15H,1,12H2,2H3,(H,30,34)