4-fluoranyl-N-[3-(4-methylphenyl)sulfonyl-1-pentyl-pyrrolo[3,2-b]quinoxalin-2-yl]benzenesulfonamide

Systemtic Name: 4-fluoranyl-N-[3-(4-methylphenyl)sulfonyl-1-pentyl-pyrrolo[3,2-b]quinoxalin-2-yl]benzenesulfonamide Openeye Name: 4-fluoro-N-[1-pentyl-3-(p-tolylsulfonyl)pyrrolo[3,2-b]quinoxalin-2-yl]benzenesulfonamide CAS Name: 4-fluoro-N-[3-(4-methylphenyl)sulfonyl-1-pentyl-2-pyrrolo[3,2-b]quinoxalinyl]benzenesulfonamide IUPAC Name: 4-fluoro-N-[3-(4-methylphenyl)sulfonyl-1-pentylpyrrolo[3,2-b]quinoxalin-2-yl]benzenesulfonamide Traditional Name: N-(1-amyl-3-tosyl-pyrrolo[3,2-b]quinoxalin-2-yl)-4-fluoro-benzenesulfonamide Formula: C28H27FN4O4S2 MolecularWeight: 566.666783

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=C(C2=NC3=CC=CC=C3N=C21)S(=O)(=O)C4=CC=C(C=C4)C)NS(=O)(=O)C5=CC=C(C=C5)F

Isomeric SMILES

CCCCCN1C(=C(C2=NC3=CC=CC=C3N=C21)S(=O)(=O)C4=CC=C(C=C4)C)NS(=O)(=O)C5=CC=C(C=C5)F

InChI

InChI=1S/C28H27FN4O4S2/c1-3-4-7-18-33-27-25(30-23-8-5-6-9-24(23)31-27)26(38(34,35)21-14-10-19(2)11-15-21)28(33)32-39(36,37)22-16-12-20(29)13-17-22/h5-6,8-17,32H,3-4,7,18H2,1-2H3