N-[[3-(1H-imidazol-5-ylmethyl)-7-nitro-2-oxidanylidene-3,4-dihydro-1H-quinoxalin-5-yl]methyl]methanesulfonamide

Systemtic Name: N-[[3-(1H-imidazol-5-ylmethyl)-7-nitro-2-oxidanylidene-3,4-dihydro-1H-quinoxalin-5-yl]methyl]methanesulfonamide Openeye Name: N-[[3-(1H-imidazol-5-ylmethyl)-7-nitro-2-oxo-3,4-dihydro-1H-quinoxalin-5-yl]methyl]methanesulfonamide CAS Name: N-[[3-(1H-imidazol-5-ylmethyl)-7-nitro-2-oxo-3,4-dihydro-1H-quinoxalin-5-yl]methyl]methanesulfonamide IUPAC Name: N-[[3-(1H-imidazol-5-ylmethyl)-7-nitro-2-oxo-3,4-dihydro-1H-quinoxalin-5-yl]methyl]methanesulfonamide Traditional Name: N-[[3-(1H-imidazol-5-ylmethyl)-2-keto-7-nitro-3,4-dihydro-1H-quinoxalin-5-yl]methyl]methanesulfonamide Formula: C14H16N6O5S MolecularWeight: 380.37904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NCC1=CC(=CC2=C1NC(C(=O)N2)CC3=CN=CN3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)NCC1=CC(=CC2=C1NC(C(=O)N2)CC3=CN=CN3)[N+](=O)[O-]

InChI

InChI=1S/C14H16N6O5S/c1-26(24,25)17-5-8-2-10(20(22)23)4-11-13(8)18-12(14(21)19-11)3-9-6-15-7-16-9/h2,4,6-7,12,17-18H,3,5H2,1H3,(H,15,16)(H,19,21)