disodium 5-bromanyl-2-[[[5-(dimethylsulfamoyl)-2-methyl-phenyl]amino]-(2-oxidanidyl-2-oxidanylidene-ethyl)imino-azaniumyl]benzoate

Systemtic Name: disodium 5-bromanyl-2-[[[5-(dimethylsulfamoyl)-2-methyl-phenyl]amino]-(2-oxidanidyl-2-oxidanylidene-ethyl)imino-azaniumyl]benzoate Openeye Name: disodium 5-bromo-2-[[5-(dimethylsulfamoyl)-2-methyl-anilino]-(2-oxido-2-oxo-ethyl)imino-ammonio]benzoate CAS Name: disodium 5-bromo-2-[[5-(dimethylsulfamoyl)-2-methylanilino]-(2-oxido-2-oxoethyl)iminoammonio]benzoate IUPAC Name: disodium 5-bromo-2-[[5-(dimethylsulfamoyl)-2-methylanilino]-(2-oxido-2-oxoethyl)iminoazaniumyl]benzoate Traditional Name: disodium 5-bromo-2-[[5-(dimethylsulfamoyl)-2-methyl-anilino]-(2-keto-2-oxido-ethyl)imino-ammonio]benzoate Formula: C18H18BrN4Na2O6S+ MolecularWeight: 544.30726

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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-].[Na+].[Na+]

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-].[Na+].[Na+]

InChI

InChI=1S/C18H19BrN4O6S.2Na/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);;/q;2*+1/p-1