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

Systemtic Name: N-[[3-(hydroxymethyl)-7-nitro-2-oxidanylidene-3,4-dihydro-1H-quinoxalin-5-yl]methyl]benzenesulfonamide Openeye Name: N-[[3-(hydroxymethyl)-7-nitro-2-oxo-3,4-dihydro-1H-quinoxalin-5-yl]methyl]benzenesulfonamide CAS Name: N-[[3-(hydroxymethyl)-7-nitro-2-oxo-3,4-dihydro-1H-quinoxalin-5-yl]methyl]benzenesulfonamide IUPAC Name: N-[[3-(hydroxymethyl)-7-nitro-2-oxo-3,4-dihydro-1H-quinoxalin-5-yl]methyl]benzenesulfonamide Traditional Name: N-[(2-keto-3-methylol-7-nitro-3,4-dihydro-1H-quinoxalin-5-yl)methyl]benzenesulfonamide Formula: C16H16N4O6S MolecularWeight: 392.38644

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)NCC2=CC(=CC3=C2NC(C(=O)N3)CO)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)NCC2=CC(=CC3=C2NC(C(=O)N3)CO)[N+](=O)[O-]

InChI

InChI=1S/C16H16N4O6S/c21-9-14-16(22)19-13-7-11(20(23)24)6-10(15(13)18-14)8-17-27(25,26)12-4-2-1-3-5-12/h1-7,14,17-18,21H,8-9H2,(H,19,22)