[(2S)-2-[[2-bromanyl-5-(diethylsulfamoyl)phenyl]carbonylamino]-2-phenyl-ethyl]-dimethyl-azanium

Systemtic Name: [(2S)-2-[[2-bromanyl-5-(diethylsulfamoyl)phenyl]carbonylamino]-2-phenyl-ethyl]-dimethyl-azanium Openeye Name: [(2S)-2-[[2-bromo-5-(diethylsulfamoyl)benzoyl]amino]-2-phenyl-ethyl]-dimethyl-ammonium CAS Name: [(2S)-2-[[[2-bromo-5-(diethylsulfamoyl)phenyl]-oxomethyl]amino]-2-phenylethyl]-dimethylammonium IUPAC Name: [(2S)-2-[[2-bromo-5-(diethylsulfamoyl)benzoyl]amino]-2-phenylethyl]-dimethylazanium Traditional Name: [(2S)-2-[[2-bromo-5-(diethylsulfamoyl)benzoyl]amino]-2-phenyl-ethyl]-dimethyl-ammonium Formula: C21H29BrN3O3S+ MolecularWeight: 483.44226

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)Br)C(=O)NC(C[NH+](C)C)C2=CC=CC=C2

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)Br)C(=O)N[C@H](C[NH+](C)C)C2=CC=CC=C2

InChI

InChI=1S/C21H28BrN3O3S/c1-5-25(6-2)29(27,28)17-12-13-19(22)18(14-17)21(26)23-20(15-24(3)4)16-10-8-7-9-11-16/h7-14,20H,5-6,15H2,1-4H3,(H,23,26)/p+1/t20-/m1/s1