2-[[3-[(2-bromanyl-5-methyl-phenyl)sulfamoyl]phenyl]carbonylamino]ethyl-di(propan-2-yl)azanium

Systemtic Name: 2-[[3-[(2-bromanyl-5-methyl-phenyl)sulfamoyl]phenyl]carbonylamino]ethyl-di(propan-2-yl)azanium Openeye Name: 2-[[3-[(2-bromo-5-methyl-phenyl)sulfamoyl]benzoyl]amino]ethyl-diisopropyl-ammonium CAS Name: 2-[[[3-[(2-bromo-5-methylphenyl)sulfamoyl]phenyl]-oxomethyl]amino]ethyl-di(propan-2-yl)ammonium IUPAC Name: 2-[[3-[(2-bromo-5-methylphenyl)sulfamoyl]benzoyl]amino]ethyl-di(propan-2-yl)azanium Traditional Name: 2-[[3-[(2-bromo-5-methyl-phenyl)sulfamoyl]benzoyl]amino]ethyl-diisopropyl-ammonium Formula: C22H31BrN3O3S+ MolecularWeight: 497.46884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)Br)NS(=O)(=O)C2=CC=CC(=C2)C(=O)NCC[NH+](C(C)C)C(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)Br)NS(=O)(=O)C2=CC=CC(=C2)C(=O)NCC[NH+](C(C)C)C(C)C

InChI

InChI=1S/C22H30BrN3O3S/c1-15(2)26(16(3)4)12-11-24-22(27)18-7-6-8-19(14-18)30(28,29)25-21-13-17(5)9-10-20(21)23/h6-10,13-16,25H,11-12H2,1-5H3,(H,24,27)/p+1