2-[2-azanyl-3-(4-methylphenyl)sulfonyl-pyrrolo[3,2-b]quinoxalin-1-yl]ethyl 3,5-dinitrobenzoate

Systemtic Name: 2-[2-azanyl-3-(4-methylphenyl)sulfonyl-pyrrolo[3,2-b]quinoxalin-1-yl]ethyl 3,5-dinitrobenzoate Openeye Name: 2-[2-amino-3-(p-tolylsulfonyl)pyrrolo[3,2-b]quinoxalin-1-yl]ethyl 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid 2-[2-amino-3-(4-methylphenyl)sulfonyl-1-pyrrolo[3,2-b]quinoxalinyl]ethyl ester IUPAC Name: 2-[2-amino-3-(4-methylphenyl)sulfonylpyrrolo[3,2-b]quinoxalin-1-yl]ethyl 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid 2-(2-amino-3-tosyl-pyrrolo[3,2-b]quinoxalin-1-yl)ethyl ester Formula: C26H20N6O8S MolecularWeight: 576.5374

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

Isomeric SMILES

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

InChI

InChI=1S/C26H20N6O8S/c1-15-6-8-19(9-7-15)41(38,39)23-22-25(29-21-5-3-2-4-20(21)28-22)30(24(23)27)10-11-40-26(33)16-12-17(31(34)35)14-18(13-16)32(36)37/h2-9,12-14H,10-11,27H2,1H3