(4-bromanyl-2-carboxy-phenyl)-(carboxymethylimino)-[[5-(dimethylsulfamoyl)-2-methyl-phenyl]amino]azanium

Systemtic Name: (4-bromanyl-2-carboxy-phenyl)-(carboxymethylimino)-[[5-(dimethylsulfamoyl)-2-methyl-phenyl]amino]azanium Openeye Name: (4-bromo-2-carboxy-phenyl)-(carboxymethylimino)-[5-(dimethylsulfamoyl)-2-methyl-anilino]ammonium CAS Name: (4-bromo-2-carboxyphenyl)-(carboxymethylimino)-[5-(dimethylsulfamoyl)-2-methylanilino]ammonium IUPAC Name: (4-bromo-2-carboxyphenyl)-(carboxymethylimino)-[5-(dimethylsulfamoyl)-2-methylanilino]azanium Traditional Name: (4-bromo-2-carboxy-phenyl)-(carboxymethylimino)-[5-(dimethylsulfamoyl)-2-methyl-anilino]ammonium Formula: C18H20BrN4O6S+ MolecularWeight: 500.3436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)N[N+](=NCC(=O)O)C2=C(C=C(C=C2)Br)C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)N[N+](=NCC(=O)O)C2=C(C=C(C=C2)Br)C(=O)O

InChI

InChI=1S/C18H19BrN4O6S/c1-11-4-6-13(30(28,29)22(2)3)9-15(11)21-23(20-10-17(24)25)16-7-5-12(19)8-14(16)18(26)27/h4-9H,10H2,1-3H3,(H2-,20,21,24,25,26,27)/p+1