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

Systemtic Name: 4-chloranyl-N-[3-[(2,4-dimethoxyphenyl)amino]quinoxalin-2-yl]-3-nitro-benzenesulfonamide Openeye Name: 4-chloro-N-[3-(2,4-dimethoxyanilino)quinoxalin-2-yl]-3-nitro-benzenesulfonamide CAS Name: 4-chloro-N-[3-(2,4-dimethoxyanilino)-2-quinoxalinyl]-3-nitrobenzenesulfonamide IUPAC Name: 4-chloro-N-[3-(2,4-dimethoxyanilino)quinoxalin-2-yl]-3-nitrobenzenesulfonamide Traditional Name: 4-chloro-N-[3-(2,4-dimethoxyanilino)quinoxalin-2-yl]-3-nitro-benzenesulfonamide Formula: C22H18ClN5O6S MolecularWeight: 515.92622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC2=NC3=CC=CC=C3N=C2NS(=O)(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-])OC

Isomeric SMILES

COC1=CC(=C(C=C1)NC2=NC3=CC=CC=C3N=C2NS(=O)(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-])OC

InChI

InChI=1S/C22H18ClN5O6S/c1-33-13-7-10-18(20(11-13)34-2)26-21-22(25-17-6-4-3-5-16(17)24-21)27-35(31,32)14-8-9-15(23)19(12-14)28(29)30/h3-12H,1-2H3,(H,24,26)(H,25,27)