(5-bromanyl-2-methoxy-phenyl)methyl-methyl-[2-oxidanylidene-2-[(3-sulfamoylphenyl)amino]ethyl]azanium

Systemtic Name: (5-bromanyl-2-methoxy-phenyl)methyl-methyl-[2-oxidanylidene-2-[(3-sulfamoylphenyl)amino]ethyl]azanium Openeye Name: (5-bromo-2-methoxy-phenyl)methyl-methyl-[2-oxo-2-(3-sulfamoylanilino)ethyl]ammonium CAS Name: (5-bromo-2-methoxyphenyl)methyl-methyl-[2-oxo-2-(3-sulfamoylanilino)ethyl]ammonium IUPAC Name: (5-bromo-2-methoxyphenyl)methyl-methyl-[2-oxo-2-(3-sulfamoylanilino)ethyl]azanium Traditional Name: (5-bromo-2-methoxy-benzyl)-[2-keto-2-(3-sulfamoylanilino)ethyl]-methyl-ammonium Formula: C17H21BrN3O4S+ MolecularWeight: 443.33534

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=C(C=CC(=C1)Br)OC)CC(=O)NC2=CC(=CC=C2)S(=O)(=O)N

Isomeric SMILES

C[NH+](CC1=C(C=CC(=C1)Br)OC)CC(=O)NC2=CC(=CC=C2)S(=O)(=O)N

InChI

InChI=1S/C17H20BrN3O4S/c1-21(10-12-8-13(18)6-7-16(12)25-2)11-17(22)20-14-4-3-5-15(9-14)26(19,23)24/h3-9H,10-11H2,1-2H3,(H,20,22)(H2,19,23,24)/p+1