4-[[5-cyano-4-methyl-6-[(4-sulfophenyl)amino]pyridin-2-yl]amino]benzenesulfonic acid

Systemtic Name: 4-[[5-cyano-4-methyl-6-[(4-sulfophenyl)amino]pyridin-2-yl]amino]benzenesulfonic acid Openeye Name: 4-[[5-cyano-4-methyl-6-(4-sulfoanilino)-2-pyridyl]amino]benzenesulfonic acid CAS Name: 4-[[5-cyano-4-methyl-6-(4-sulfoanilino)-2-pyridinyl]amino]benzenesulfonic acid IUPAC Name: 4-[[5-cyano-4-methyl-6-(4-sulfoanilino)pyridin-2-yl]amino]benzenesulfonic acid Traditional Name: 4-[[5-cyano-4-methyl-6-(4-sulfoanilino)-2-pyridyl]amino]besylic acid Formula: C19H16N4O6S2 MolecularWeight: 460.48354

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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

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

InChI

InChI=1S/C19H16N4O6S2/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)