2-[2-[[[4-(2-cyanoethylsulfamoyl)phenyl]carbonylamino]methyl]phenoxy]ethyl-diethyl-azanium

Systemtic Name: 2-[2-[[[4-(2-cyanoethylsulfamoyl)phenyl]carbonylamino]methyl]phenoxy]ethyl-diethyl-azanium Openeye Name: 2-[2-[[[4-(2-cyanoethylsulfamoyl)benzoyl]amino]methyl]phenoxy]ethyl-diethyl-ammonium CAS Name: 2-[2-[[[[4-(2-cyanoethylsulfamoyl)phenyl]-oxomethyl]amino]methyl]phenoxy]ethyl-diethylammonium IUPAC Name: 2-[2-[[[4-(2-cyanoethylsulfamoyl)benzoyl]amino]methyl]phenoxy]ethyl-diethylazanium Traditional Name: 2-[2-[[[4-(2-cyanoethylsulfamoyl)benzoyl]amino]methyl]phenoxy]ethyl-diethyl-ammonium Formula: C23H31N4O4S+ MolecularWeight: 459.58164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)C2=CC=C(C=C2)S(=O)(=O)NCCC#N

Isomeric SMILES

CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)C2=CC=C(C=C2)S(=O)(=O)NCCC#N

InChI

InChI=1S/C23H30N4O4S/c1-3-27(4-2)16-17-31-22-9-6-5-8-20(22)18-25-23(28)19-10-12-21(13-11-19)32(29,30)26-15-7-14-24/h5-6,8-13,26H,3-4,7,15-18H2,1-2H3,(H,25,28)/p+1