[1-[[[2-bromanyl-5-(cyclopropylsulfamoyl)phenyl]carbonylamino]methyl]cycloheptyl]-dimethyl-azanium

Systemtic Name: [1-[[[2-bromanyl-5-(cyclopropylsulfamoyl)phenyl]carbonylamino]methyl]cycloheptyl]-dimethyl-azanium Openeye Name: [1-[[[2-bromo-5-(cyclopropylsulfamoyl)benzoyl]amino]methyl]cycloheptyl]-dimethyl-ammonium CAS Name: [1-[[[[2-bromo-5-(cyclopropylsulfamoyl)phenyl]-oxomethyl]amino]methyl]cycloheptyl]-dimethylammonium IUPAC Name: [1-[[[2-bromo-5-(cyclopropylsulfamoyl)benzoyl]amino]methyl]cycloheptyl]-dimethylazanium Traditional Name: [1-[[[2-bromo-5-(cyclopropylsulfamoyl)benzoyl]amino]methyl]cycloheptyl]-dimethyl-ammonium Formula: C20H31BrN3O3S+ MolecularWeight: 473.44744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C1(CCCCCC1)CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)NC3CC3)Br

Isomeric SMILES

C[NH+](C)C1(CCCCCC1)CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)NC3CC3)Br

InChI

InChI=1S/C20H30BrN3O3S/c1-24(2)20(11-5-3-4-6-12-20)14-22-19(25)17-13-16(9-10-18(17)21)28(26,27)23-15-7-8-15/h9-10,13,15,23H,3-8,11-12,14H2,1-2H3,(H,22,25)/p+1