(5-bromanyl-2-methoxy-phenyl)methyl-methyl-[(2S)-1-oxidanylidene-1-[(4-sulfamoylphenyl)amino]propan-2-yl]azanium

Systemtic Name: (5-bromanyl-2-methoxy-phenyl)methyl-methyl-[(2S)-1-oxidanylidene-1-[(4-sulfamoylphenyl)amino]propan-2-yl]azanium Openeye Name: (5-bromo-2-methoxy-phenyl)methyl-methyl-[(1S)-1-methyl-2-oxo-2-(4-sulfamoylanilino)ethyl]ammonium CAS Name: (5-bromo-2-methoxyphenyl)methyl-methyl-[(2S)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl]ammonium IUPAC Name: (5-bromo-2-methoxyphenyl)methyl-methyl-[(2S)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl]azanium Traditional Name: (5-bromo-2-methoxy-benzyl)-[(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)CC2=C(C=CC(=C2)Br)OC

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)[NH+](C)CC2=C(C=CC(=C2)Br)OC

InChI

InChI=1S/C18H22BrN3O4S/c1-12(22(2)11-13-10-14(19)4-9-17(13)26-3)18(23)21-15-5-7-16(8-6-15)27(20,24)25/h4-10,12H,11H2,1-3H3,(H,21,23)(H2,20,24,25)/p+1/t12-/m0/s1