N-(2-methyl-5-nitro-phenyl)-2-[4-(phenylsulfonylamino)phenyl]sulfanyl-propanamide

Systemtic Name: N-(2-methyl-5-nitro-phenyl)-2-[4-(phenylsulfonylamino)phenyl]sulfanyl-propanamide Openeye Name: 2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(2-methyl-5-nitro-phenyl)propanamide CAS Name: 2-[[4-(benzenesulfonamido)phenyl]thio]-N-(2-methyl-5-nitrophenyl)propanamide IUPAC Name: 2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(2-methyl-5-nitrophenyl)propanamide Traditional Name: 2-[[4-(benzenesulfonamido)phenyl]thio]-N-(2-methyl-5-nitro-phenyl)propionamide Formula: C22H21N3O5S2 MolecularWeight: 471.54924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C(C)SC2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C(C)SC2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H21N3O5S2/c1-15-8-11-18(25(27)28)14-21(15)23-22(26)16(2)31-19-12-9-17(10-13-19)24-32(29,30)20-6-4-3-5-7-20/h3-14,16,24H,1-2H3,(H,23,26)