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

Systemtic Name: N-[3-[(4-bromanyl-2-fluoranyl-phenyl)amino]quinoxalin-2-yl]-3-methyl-benzenesulfonamide Openeye Name: N-[3-(4-bromo-2-fluoro-anilino)quinoxalin-2-yl]-3-methyl-benzenesulfonamide CAS Name: N-[3-(4-bromo-2-fluoroanilino)-2-quinoxalinyl]-3-methylbenzenesulfonamide IUPAC Name: N-[3-(4-bromo-2-fluoroanilino)quinoxalin-2-yl]-3-methylbenzenesulfonamide Traditional Name: N-[3-(4-bromo-2-fluoro-anilino)quinoxalin-2-yl]-3-methyl-benzenesulfonamide Formula: C21H16BrFN4O2S MolecularWeight: 487.344743

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16BrFN4O2S/c1-13-5-4-6-15(11-13)30(28,29)27-21-20(24-17-10-9-14(22)12-16(17)23)25-18-7-2-3-8-19(18)26-21/h2-12H,1H3,(H,24,25)(H,26,27)