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

Systemtic Name: 2-[2-azanyl-3-(4-methylphenyl)sulfonyl-pyrrolo[3,2-b]quinoxalin-1-yl]ethyl 5-bromanylfuran-2-carboxylate Openeye Name: 2-[2-amino-3-(p-tolylsulfonyl)pyrrolo[3,2-b]quinoxalin-1-yl]ethyl 5-bromofuran-2-carboxylate CAS Name: 5-bromo-2-furancarboxylic 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 5-bromofuran-2-carboxylate Traditional Name: 5-bromofuran-2-carboxylic acid 2-(2-amino-3-tosyl-pyrrolo[3,2-b]quinoxalin-1-yl)ethyl ester Formula: C24H19BrN4O5S MolecularWeight: 555.40046

Click to see the large picture

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=C(O5)Br)N

Isomeric SMILES

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

InChI

InChI=1S/C24H19BrN4O5S/c1-14-6-8-15(9-7-14)35(31,32)21-20-23(28-17-5-3-2-4-16(17)27-20)29(22(21)26)12-13-33-24(30)18-10-11-19(25)34-18/h2-11H,12-13,26H2,1H3