N-[3-[(4-methoxyphenyl)amino]quinoxalin-2-yl]-4-nitro-benzenesulfonamide

Systemtic Name: N-[3-[(4-methoxyphenyl)amino]quinoxalin-2-yl]-4-nitro-benzenesulfonamide Openeye Name: N-[3-(4-methoxyanilino)quinoxalin-2-yl]-4-nitro-benzenesulfonamide CAS Name: N-[3-(4-methoxyanilino)-2-quinoxalinyl]-4-nitrobenzenesulfonamide IUPAC Name: N-[3-(4-methoxyanilino)quinoxalin-2-yl]-4-nitrobenzenesulfonamide Traditional Name: 4-nitro-N-[3-(p-anisidino)quinoxalin-2-yl]benzenesulfonamide Formula: C21H17N5O5S MolecularWeight: 451.45518

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17N5O5S/c1-31-16-10-6-14(7-11-16)22-20-21(24-19-5-3-2-4-18(19)23-20)25-32(29,30)17-12-8-15(9-13-17)26(27)28/h2-13H,1H3,(H,22,23)(H,24,25)