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

Systemtic Name: N-[3-[(3,4-dimethylphenyl)amino]quinoxalin-2-yl]-3-nitro-benzenesulfonamide Openeye Name: N-[3-(3,4-dimethylanilino)quinoxalin-2-yl]-3-nitro-benzenesulfonamide CAS Name: N-[3-(3,4-dimethylanilino)-2-quinoxalinyl]-3-nitrobenzenesulfonamide IUPAC Name: N-[3-(3,4-dimethylanilino)quinoxalin-2-yl]-3-nitrobenzenesulfonamide Traditional Name: N-[3-(3,4-dimethylanilino)quinoxalin-2-yl]-3-nitro-benzenesulfonamide Formula: C22H19N5O4S MolecularWeight: 449.48236

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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