diazanium 4-[[5-cyano-4-methyl-6-[(2-methyl-4-sulfonato-phenyl)amino]pyridin-2-yl]amino]-3-methyl-benzenesulfonate

Systemtic Name: diazanium 4-[[5-cyano-4-methyl-6-[(2-methyl-4-sulfonato-phenyl)amino]pyridin-2-yl]amino]-3-methyl-benzenesulfonate Openeye Name: diammonium 4-[[5-cyano-4-methyl-6-(2-methyl-4-sulfonato-anilino)-2-pyridyl]amino]-3-methyl-benzenesulfonate CAS Name: diammonium 4-[[5-cyano-4-methyl-6-(2-methyl-4-sulfonatoanilino)-2-pyridinyl]amino]-3-methylbenzenesulfonate IUPAC Name: diazanium 4-[[5-cyano-4-methyl-6-(2-methyl-4-sulfonatoanilino)pyridin-2-yl]amino]-3-methylbenzenesulfonate Traditional Name: diammonium 4-[[5-cyano-4-methyl-6-(2-methyl-4-sulfonato-anilino)-2-pyridyl]amino]-3-methyl-besylate Formula: C21H26N6O6S2 MolecularWeight: 522.59774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)NC2=C(C=C(C=C2)S(=O)(=O)[O-])C)NC3=C(C=C(C=C3)S(=O)(=O)[O-])C.[NH4+].[NH4+]

Isomeric SMILES

CC1=CC(=NC(=C1C#N)NC2=C(C=C(C=C2)S(=O)(=O)[O-])C)NC3=C(C=C(C=C3)S(=O)(=O)[O-])C.[NH4+].[NH4+]

InChI

InChI=1S/C21H20N4O6S2.2H3N/c1-12-10-20(23-18-6-4-15(8-13(18)2)32(26,27)28)25-21(17(12)11-22)24-19-7-5-16(9-14(19)3)33(29,30)31;;/h4-10H,1-3H3,(H2,23,24,25)(H,26,27,28)(H,29,30,31);2*1H3