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

Systemtic Name: 4-chloranyl-N-[3-[(3-fluoranyl-4-methyl-phenyl)amino]quinoxalin-2-yl]benzenesulfonamide Openeye Name: 4-chloro-N-[3-(3-fluoro-4-methyl-anilino)quinoxalin-2-yl]benzenesulfonamide CAS Name: 4-chloro-N-[3-(3-fluoro-4-methylanilino)-2-quinoxalinyl]benzenesulfonamide IUPAC Name: 4-chloro-N-[3-(3-fluoro-4-methylanilino)quinoxalin-2-yl]benzenesulfonamide Traditional Name: 4-chloro-N-[3-(3-fluoro-4-methyl-anilino)quinoxalin-2-yl]benzenesulfonamide Formula: C21H16ClFN4O2S MolecularWeight: 442.893743

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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=C(C=C4)Cl)F

Isomeric SMILES

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

InChI

InChI=1S/C21H16ClFN4O2S/c1-13-6-9-15(12-17(13)23)24-20-21(26-19-5-3-2-4-18(19)25-20)27-30(28,29)16-10-7-14(22)8-11-16/h2-12H,1H3,(H,24,25)(H,26,27)