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

Systemtic Name: 2-[2-azanyl-3-(4-methylphenyl)sulfonyl-pyrrolo[3,2-b]quinoxalin-1-yl]ethyl 4-fluoranylbenzoate Openeye Name: 2-[2-amino-3-(p-tolylsulfonyl)pyrrolo[3,2-b]quinoxalin-1-yl]ethyl 4-fluorobenzoate CAS Name: 4-fluorobenzoic 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 4-fluorobenzoate Traditional Name: 4-fluorobenzoic acid 2-(2-amino-3-tosyl-pyrrolo[3,2-b]quinoxalin-1-yl)ethyl ester Formula: C26H21FN4O4S MolecularWeight: 504.532743

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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)CCOC(=O)C5=CC=C(C=C5)F)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(C=C5)F)N

InChI

InChI=1S/C26H21FN4O4S/c1-16-6-12-19(13-7-16)36(33,34)23-22-25(30-21-5-3-2-4-20(21)29-22)31(24(23)28)14-15-35-26(32)17-8-10-18(27)11-9-17/h2-13H,14-15,28H2,1H3