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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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