4-chloranyl-N-[3-[(2,5-dimethylphenyl)amino]quinoxalin-2-yl]-3-nitro-benzenesulfonamide

Systemtic Name: 4-chloranyl-N-[3-[(2,5-dimethylphenyl)amino]quinoxalin-2-yl]-3-nitro-benzenesulfonamide Openeye Name: 4-chloro-N-[3-(2,5-dimethylanilino)quinoxalin-2-yl]-3-nitro-benzenesulfonamide CAS Name: 4-chloro-N-[3-(2,5-dimethylanilino)-2-quinoxalinyl]-3-nitrobenzenesulfonamide IUPAC Name: 4-chloro-N-[3-(2,5-dimethylanilino)quinoxalin-2-yl]-3-nitrobenzenesulfonamide Traditional Name: 4-chloro-N-[3-(2,5-dimethylanilino)quinoxalin-2-yl]-3-nitro-benzenesulfonamide Formula: C22H18ClN5O4S MolecularWeight: 483.92742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18ClN5O4S/c1-13-7-8-14(2)19(11-13)26-21-22(25-18-6-4-3-5-17(18)24-21)27-33(31,32)15-9-10-16(23)20(12-15)28(29)30/h3-12H,1-2H3,(H,24,26)(H,25,27)