4-[[2-azanyl-3-(4-methylphenyl)sulfonyl-pyrrolo[3,2-b]quinoxalin-1-yl]methyl]benzoate

Systemtic Name: 4-[[2-azanyl-3-(4-methylphenyl)sulfonyl-pyrrolo[3,2-b]quinoxalin-1-yl]methyl]benzoate Openeye Name: 4-[[2-amino-3-(p-tolylsulfonyl)pyrrolo[3,2-b]quinoxalin-1-yl]methyl]benzoate CAS Name: 4-[[2-amino-3-(4-methylphenyl)sulfonyl-1-pyrrolo[3,2-b]quinoxalinyl]methyl]benzoate IUPAC Name: 4-[[2-amino-3-(4-methylphenyl)sulfonylpyrrolo[3,2-b]quinoxalin-1-yl]methyl]benzoate Traditional Name: 4-[(2-amino-3-tosyl-pyrrolo[3,2-b]quinoxalin-1-yl)methyl]benzoate Formula: C25H19N4O4S- MolecularWeight: 471.50776

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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)CC5=CC=C(C=C5)C(=O)[O-])N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C(N(C3=NC4=CC=CC=C4N=C23)CC5=CC=C(C=C5)C(=O)[O-])N

InChI

InChI=1S/C25H20N4O4S/c1-15-6-12-18(13-7-15)34(32,33)22-21-24(28-20-5-3-2-4-19(20)27-21)29(23(22)26)14-16-8-10-17(11-9-16)25(30)31/h2-13H,14,26H2,1H3,(H,30,31)/p-1