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

Systemtic Name: N-[3-[(2-methylphenyl)amino]quinoxalin-2-yl]-4-nitro-benzenesulfonamide Openeye Name: N-[3-(2-methylanilino)quinoxalin-2-yl]-4-nitro-benzenesulfonamide CAS Name: N-[3-(2-methylanilino)-2-quinoxalinyl]-4-nitrobenzenesulfonamide IUPAC Name: N-[3-(2-methylanilino)quinoxalin-2-yl]-4-nitrobenzenesulfonamide Traditional Name: 4-nitro-N-[3-(o-toluidino)quinoxalin-2-yl]benzenesulfonamide Formula: C21H17N5O4S MolecularWeight: 435.45578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=NC3=CC=CC=C3N=C2NS(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1NC2=NC3=CC=CC=C3N=C2NS(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H17N5O4S/c1-14-6-2-3-7-17(14)22-20-21(24-19-9-5-4-8-18(19)23-20)25-31(29,30)16-12-10-15(11-13-16)26(27)28/h2-13H,1H3,(H,22,23)(H,24,25)