N-[4-methyl-2-(3-oxidanylidene-4H-quinoxalin-2-yl)phenyl]-4-nitro-benzenesulfonamide

Systemtic Name: N-[4-methyl-2-(3-oxidanylidene-4H-quinoxalin-2-yl)phenyl]-4-nitro-benzenesulfonamide Openeye Name: N-[4-methyl-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]-4-nitro-benzenesulfonamide CAS Name: N-[4-methyl-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]-4-nitrobenzenesulfonamide IUPAC Name: N-[4-methyl-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]-4-nitrobenzenesulfonamide Traditional Name: N-[2-(3-keto-4H-quinoxalin-2-yl)-4-methyl-phenyl]-4-nitro-benzenesulfonamide Formula: C21H16N4O5S MolecularWeight: 436.44054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=NC4=CC=CC=C4NC3=O

Isomeric SMILES

CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=NC4=CC=CC=C4NC3=O

InChI

InChI=1S/C21H16N4O5S/c1-13-6-11-17(24-31(29,30)15-9-7-14(8-10-15)25(27)28)16(12-13)20-21(26)23-19-5-3-2-4-18(19)22-20/h2-12,24H,1H3,(H,23,26)