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

Systemtic Name: methyl 4-[2-azanyl-3-(4-methylphenyl)sulfonyl-pyrrolo[3,2-b]quinoxalin-1-yl]benzoate Openeye Name: methyl 4-[2-amino-3-(p-tolylsulfonyl)pyrrolo[3,2-b]quinoxalin-1-yl]benzoate CAS Name: 4-[2-amino-3-(4-methylphenyl)sulfonyl-1-pyrrolo[3,2-b]quinoxalinyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-amino-3-(4-methylphenyl)sulfonylpyrrolo[3,2-b]quinoxalin-1-yl]benzoate Traditional Name: 4-(2-amino-3-tosyl-pyrrolo[3,2-b]quinoxalin-1-yl)benzoic acid methyl ester Formula: C25H20N4O4S MolecularWeight: 472.5157

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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)C5=CC=C(C=C5)C(=O)OC)N

Isomeric SMILES

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

InChI

InChI=1S/C25H20N4O4S/c1-15-7-13-18(14-8-15)34(31,32)22-21-24(28-20-6-4-3-5-19(20)27-21)29(23(22)26)17-11-9-16(10-12-17)25(30)33-2/h3-14H,26H2,1-2H3