N-[3-[(2,5-dimethoxyphenyl)amino]quinoxalin-2-yl]-4-iodanyl-benzenesulfonamide

Systemtic Name: N-[3-[(2,5-dimethoxyphenyl)amino]quinoxalin-2-yl]-4-iodanyl-benzenesulfonamide Openeye Name: N-[3-(2,5-dimethoxyanilino)quinoxalin-2-yl]-4-iodo-benzenesulfonamide CAS Name: N-[3-(2,5-dimethoxyanilino)-2-quinoxalinyl]-4-iodobenzenesulfonamide IUPAC Name: N-[3-(2,5-dimethoxyanilino)quinoxalin-2-yl]-4-iodobenzenesulfonamide Traditional Name: N-[3-(2,5-dimethoxyanilino)quinoxalin-2-yl]-4-iodo-benzenesulfonamide Formula: C22H19IN4O4S MolecularWeight: 562.38013

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)NC2=NC3=CC=CC=C3N=C2NS(=O)(=O)C4=CC=C(C=C4)I

Isomeric SMILES

COC1=CC(=C(C=C1)OC)NC2=NC3=CC=CC=C3N=C2NS(=O)(=O)C4=CC=C(C=C4)I

InChI

InChI=1S/C22H19IN4O4S/c1-30-15-9-12-20(31-2)19(13-15)26-21-22(25-18-6-4-3-5-17(18)24-21)27-32(28,29)16-10-7-14(23)8-11-16/h3-13H,1-2H3,(H,24,26)(H,25,27)