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

Systemtic Name: diazanium 4-[[5-cyano-4-methyl-6-[(4-sulfonatophenyl)amino]pyridin-2-yl]amino]benzenesulfonate Openeye Name: diammonium 4-[[5-cyano-4-methyl-6-(4-sulfonatoanilino)-2-pyridyl]amino]benzenesulfonate CAS Name: diammonium 4-[[5-cyano-4-methyl-6-(4-sulfonatoanilino)-2-pyridinyl]amino]benzenesulfonate IUPAC Name: diazanium 4-[[5-cyano-4-methyl-6-(4-sulfonatoanilino)pyridin-2-yl]amino]benzenesulfonate Traditional Name: diammonium 4-[[5-cyano-4-methyl-6-(4-sulfonatoanilino)-2-pyridyl]amino]besylate Formula: C19H22N6O6S2 MolecularWeight: 494.54458

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16N4O6S2.2H3N/c1-12-10-18(21-13-2-6-15(7-3-13)30(24,25)26)23-19(17(12)11-20)22-14-4-8-16(9-5-14)31(27,28)29;;/h2-10H,1H3,(H2,21,22,23)(H,24,25,26)(H,27,28,29);2*1H3