3-[2-azanyl-3-(4-methylphenyl)sulfonyl-pyrrolo[3,2-b]quinoxalin-1-yl]propyl 5-bromanylfuran-2-carboxylate

Systemtic Name: 3-[2-azanyl-3-(4-methylphenyl)sulfonyl-pyrrolo[3,2-b]quinoxalin-1-yl]propyl 5-bromanylfuran-2-carboxylate Openeye Name: 3-[2-amino-3-(p-tolylsulfonyl)pyrrolo[3,2-b]quinoxalin-1-yl]propyl 5-bromofuran-2-carboxylate CAS Name: 5-bromo-2-furancarboxylic acid 3-[2-amino-3-(4-methylphenyl)sulfonyl-1-pyrrolo[3,2-b]quinoxalinyl]propyl ester IUPAC Name: 3-[2-amino-3-(4-methylphenyl)sulfonylpyrrolo[3,2-b]quinoxalin-1-yl]propyl 5-bromofuran-2-carboxylate Traditional Name: 5-bromofuran-2-carboxylic acid 3-(2-amino-3-tosyl-pyrrolo[3,2-b]quinoxalin-1-yl)propyl ester Formula: C25H21BrN4O5S MolecularWeight: 569.42704

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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)CCCOC(=O)C5=CC=C(O5)Br)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C(N(C3=NC4=CC=CC=C4N=C23)CCCOC(=O)C5=CC=C(O5)Br)N

InChI

InChI=1S/C25H21BrN4O5S/c1-15-7-9-16(10-8-15)36(32,33)22-21-24(29-18-6-3-2-5-17(18)28-21)30(23(22)27)13-4-14-34-25(31)19-11-12-20(26)35-19/h2-3,5-12H,4,13-14,27H2,1H3