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

Systemtic Name: N-[1-butyl-3-(4-methylphenyl)sulfonyl-pyrrolo[3,2-b]quinoxalin-2-yl]-4-fluoranyl-benzenesulfonamide Openeye Name: N-[1-butyl-3-(p-tolylsulfonyl)pyrrolo[3,2-b]quinoxalin-2-yl]-4-fluoro-benzenesulfonamide CAS Name: N-[1-butyl-3-(4-methylphenyl)sulfonyl-2-pyrrolo[3,2-b]quinoxalinyl]-4-fluorobenzenesulfonamide IUPAC Name: N-[1-butyl-3-(4-methylphenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-yl]-4-fluorobenzenesulfonamide Traditional Name: N-(1-butyl-3-tosyl-pyrrolo[3,2-b]quinoxalin-2-yl)-4-fluoro-benzenesulfonamide Formula: C27H25FN4O4S2 MolecularWeight: 552.640203

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=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

CCCCN1C(=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/C27H25FN4O4S2/c1-3-4-17-32-26-24(29-22-7-5-6-8-23(22)30-26)25(37(33,34)20-13-9-18(2)10-14-20)27(32)31-38(35,36)21-15-11-19(28)12-16-21/h5-16,31H,3-4,17H2,1-2H3