N-[3-[(3-fluoranyl-4-methyl-phenyl)amino]quinoxalin-2-yl]benzenesulfonamide

Systemtic Name: N-[3-[(3-fluoranyl-4-methyl-phenyl)amino]quinoxalin-2-yl]benzenesulfonamide Openeye Name: N-[3-(3-fluoro-4-methyl-anilino)quinoxalin-2-yl]benzenesulfonamide CAS Name: N-[3-(3-fluoro-4-methylanilino)-2-quinoxalinyl]benzenesulfonamide IUPAC Name: N-[3-(3-fluoro-4-methylanilino)quinoxalin-2-yl]benzenesulfonamide Traditional Name: N-[3-(3-fluoro-4-methyl-anilino)quinoxalin-2-yl]benzenesulfonamide Formula: C21H17FN4O2S MolecularWeight: 408.448683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=NC3=CC=CC=C3N=C2NS(=O)(=O)C4=CC=CC=C4)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=NC3=CC=CC=C3N=C2NS(=O)(=O)C4=CC=CC=C4)F

InChI

InChI=1S/C21H17FN4O2S/c1-14-11-12-15(13-17(14)22)23-20-21(25-19-10-6-5-9-18(19)24-20)26-29(27,28)16-7-3-2-4-8-16/h2-13H,1H3,(H,23,24)(H,25,26)