disodium 2-[[[5-(dimethylsulfamoyl)-2-methyl-phenyl]amino]-(ethylamino)amino]-5-sulfonato-benzoate

Systemtic Name: disodium 2-[[[5-(dimethylsulfamoyl)-2-methyl-phenyl]amino]-(ethylamino)amino]-5-sulfonato-benzoate Openeye Name: disodium 2-[[5-(dimethylsulfamoyl)-2-methyl-anilino]-(ethylamino)amino]-5-sulfonato-benzoate CAS Name: disodium 2-[[5-(dimethylsulfamoyl)-2-methylanilino]-(ethylamino)amino]-5-sulfonatobenzoate IUPAC Name: disodium 2-[[5-(dimethylsulfamoyl)-2-methylanilino]-(ethylamino)amino]-5-sulfonatobenzoate Traditional Name: disodium 2-[[5-(dimethylsulfamoyl)-2-methyl-anilino]-(ethylamino)amino]-5-sulfonato-benzoate Formula: C18H22N4Na2O7S2 MolecularWeight: 516.49942

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Descriptors Computed from Structure

Canonical SMILES:

CCNN(C1=C(C=C(C=C1)S(=O)(=O)[O-])C(=O)[O-])NC2=C(C=CC(=C2)S(=O)(=O)N(C)C)C.[Na+].[Na+]

Isomeric SMILES

CCNN(C1=C(C=C(C=C1)S(=O)(=O)[O-])C(=O)[O-])NC2=C(C=CC(=C2)S(=O)(=O)N(C)C)C.[Na+].[Na+]

InChI

InChI=1S/C18H24N4O7S2.2Na/c1-5-19-22(17-9-8-14(31(27,28)29)10-15(17)18(23)24)20-16-11-13(7-6-12(16)2)30(25,26)21(3)4;;/h6-11,19-20H,5H2,1-4H3,(H,23,24)(H,27,28,29);;/q;2*+1/p-2