N-[3-[[2,6-bis(fluoranyl)-3-methoxy-phenyl]amino]quinoxalin-2-yl]-3-nitro-benzenesulfonamide

Systemtic Name: N-[3-[[2,6-bis(fluoranyl)-3-methoxy-phenyl]amino]quinoxalin-2-yl]-3-nitro-benzenesulfonamide Openeye Name: N-[3-(2,6-difluoro-3-methoxy-anilino)quinoxalin-2-yl]-3-nitro-benzenesulfonamide CAS Name: N-[3-(2,6-difluoro-3-methoxyanilino)-2-quinoxalinyl]-3-nitrobenzenesulfonamide IUPAC Name: N-[3-(2,6-difluoro-3-methoxyanilino)quinoxalin-2-yl]-3-nitrobenzenesulfonamide Traditional Name: N-[3-(2,6-difluoro-3-methoxy-anilino)quinoxalin-2-yl]-3-nitro-benzenesulfonamide Formula: C21H15F2N5O5S MolecularWeight: 487.436106

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)F)NC2=NC3=CC=CC=C3N=C2NS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-])F

Isomeric SMILES

COC1=C(C(=C(C=C1)F)NC2=NC3=CC=CC=C3N=C2NS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-])F

InChI

InChI=1S/C21H15F2N5O5S/c1-33-17-10-9-14(22)19(18(17)23)26-20-21(25-16-8-3-2-7-15(16)24-20)27-34(31,32)13-6-4-5-12(11-13)28(29)30/h2-11H,1H3,(H,24,26)(H,25,27)