N-[3-[(3-chloranyl-4-fluoranyl-phenyl)amino]quinoxalin-2-yl]-2,5-dimethyl-benzenesulfonamide

Systemtic Name: N-[3-[(3-chloranyl-4-fluoranyl-phenyl)amino]quinoxalin-2-yl]-2,5-dimethyl-benzenesulfonamide Openeye Name: N-[3-(3-chloro-4-fluoro-anilino)quinoxalin-2-yl]-2,5-dimethyl-benzenesulfonamide CAS Name: N-[3-(3-chloro-4-fluoroanilino)-2-quinoxalinyl]-2,5-dimethylbenzenesulfonamide IUPAC Name: N-[3-(3-chloro-4-fluoroanilino)quinoxalin-2-yl]-2,5-dimethylbenzenesulfonamide Traditional Name: N-[3-(3-chloro-4-fluoro-anilino)quinoxalin-2-yl]-2,5-dimethyl-benzenesulfonamide Formula: C22H18ClFN4O2S MolecularWeight: 456.920323

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2NC4=CC(=C(C=C4)F)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2NC4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C22H18ClFN4O2S/c1-13-7-8-14(2)20(11-13)31(29,30)28-22-21(25-15-9-10-17(24)16(23)12-15)26-18-5-3-4-6-19(18)27-22/h3-12H,1-2H3,(H,25,26)(H,27,28)