2-methyl-N-[3-[(4-methylphenyl)amino]quinoxalin-2-yl]-5-nitro-benzenesulfonamide

Systemtic Name: 2-methyl-N-[3-[(4-methylphenyl)amino]quinoxalin-2-yl]-5-nitro-benzenesulfonamide Openeye Name: 2-methyl-N-[3-(4-methylanilino)quinoxalin-2-yl]-5-nitro-benzenesulfonamide CAS Name: 2-methyl-N-[3-(4-methylanilino)-2-quinoxalinyl]-5-nitrobenzenesulfonamide IUPAC Name: 2-methyl-N-[3-(4-methylanilino)quinoxalin-2-yl]-5-nitrobenzenesulfonamide Traditional Name: 2-methyl-5-nitro-N-[3-(p-toluidino)quinoxalin-2-yl]benzenesulfonamide Formula: C22H19N5O4S MolecularWeight: 449.48236

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC3=CC=CC=C3N=C2NS(=O)(=O)C4=C(C=CC(=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC3=CC=CC=C3N=C2NS(=O)(=O)C4=C(C=CC(=C4)[N+](=O)[O-])C

InChI

InChI=1S/C22H19N5O4S/c1-14-7-10-16(11-8-14)23-21-22(25-19-6-4-3-5-18(19)24-21)26-32(30,31)20-13-17(27(28)29)12-9-15(20)2/h3-13H,1-2H3,(H,23,24)(H,25,26)