2-[[2-bromanyl-5-(prop-2-enylsulfamoyl)phenyl]carbonylamino]ethyl-di(propan-2-yl)azanium

Systemtic Name: 2-[[2-bromanyl-5-(prop-2-enylsulfamoyl)phenyl]carbonylamino]ethyl-di(propan-2-yl)azanium Openeye Name: 2-[[5-(allylsulfamoyl)-2-bromo-benzoyl]amino]ethyl-diisopropyl-ammonium CAS Name: 2-[[[2-bromo-5-(prop-2-enylsulfamoyl)phenyl]-oxomethyl]amino]ethyl-di(propan-2-yl)ammonium IUPAC Name: 2-[[2-bromo-5-(prop-2-enylsulfamoyl)benzoyl]amino]ethyl-di(propan-2-yl)azanium Traditional Name: 2-[[5-(allylsulfamoyl)-2-bromo-benzoyl]amino]ethyl-diisopropyl-ammonium Formula: C18H29BrN3O3S+ MolecularWeight: 447.41016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](CCNC(=O)C1=C(C=CC(=C1)S(=O)(=O)NCC=C)Br)C(C)C

Isomeric SMILES

CC(C)[NH+](CCNC(=O)C1=C(C=CC(=C1)S(=O)(=O)NCC=C)Br)C(C)C

InChI

InChI=1S/C18H28BrN3O3S/c1-6-9-21-26(24,25)15-7-8-17(19)16(12-15)18(23)20-10-11-22(13(2)3)14(4)5/h6-8,12-14,21H,1,9-11H2,2-5H3,(H,20,23)/p+1