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

Systemtic Name: 2-[2-azanyl-3-(phenylsulfonyl)pyrrolo[3,2-b]quinoxalin-1-yl]ethyl 3,5-dinitrobenzoate Openeye Name: 2-[2-amino-3-(benzenesulfonyl)pyrrolo[3,2-b]quinoxalin-1-yl]ethyl 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid 2-[2-amino-3-(benzenesulfonyl)-1-pyrrolo[3,2-b]quinoxalinyl]ethyl ester IUPAC Name: 2-[2-amino-3-(benzenesulfonyl)pyrrolo[3,2-b]quinoxalin-1-yl]ethyl 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid 2-(2-amino-3-besyl-pyrrolo[3,2-b]quinoxalin-1-yl)ethyl ester Formula: C25H18N6O8S MolecularWeight: 562.51082

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Descriptors Computed from Structure

Canonical SMILES:

C1=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

C1=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/C25H18N6O8S/c26-23-22(40(37,38)18-6-2-1-3-7-18)21-24(28-20-9-5-4-8-19(20)27-21)29(23)10-11-39-25(32)15-12-16(30(33)34)14-17(13-15)31(35)36/h1-9,12-14H,10-11,26H2