2-(4-bromanylphenoxy)ethyl-methyl-[(2S)-1-oxidanylidene-1-[(4-sulfamoylphenyl)amino]propan-2-yl]azanium

Systemtic Name: 2-(4-bromanylphenoxy)ethyl-methyl-[(2S)-1-oxidanylidene-1-[(4-sulfamoylphenyl)amino]propan-2-yl]azanium Openeye Name: 2-(4-bromophenoxy)ethyl-methyl-[(1S)-1-methyl-2-oxo-2-(4-sulfamoylanilino)ethyl]ammonium CAS Name: 2-(4-bromophenoxy)ethyl-methyl-[(2S)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl]ammonium IUPAC Name: 2-(4-bromophenoxy)ethyl-methyl-[(2S)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl]azanium Traditional Name: 2-(4-bromophenoxy)ethyl-[(1S)-2-keto-1-methyl-2-(4-sulfamoylanilino)ethyl]-methyl-ammonium Formula: C18H23BrN3O4S+ MolecularWeight: 457.36192

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)[NH+](C)CCOC2=CC=C(C=C2)Br

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)[NH+](C)CCOC2=CC=C(C=C2)Br

InChI

InChI=1S/C18H22BrN3O4S/c1-13(22(2)11-12-26-16-7-3-14(19)4-8-16)18(23)21-15-5-9-17(10-6-15)27(20,24)25/h3-10,13H,11-12H2,1-2H3,(H,21,23)(H2,20,24,25)/p+1/t13-/m0/s1