4-[[5-cyano-4-methyl-6-[(2-methyl-4-sulfo-phenyl)amino]pyridin-2-yl]amino]-3-methyl-benzenesulfonic acid

Systemtic Name: 4-[[5-cyano-4-methyl-6-[(2-methyl-4-sulfo-phenyl)amino]pyridin-2-yl]amino]-3-methyl-benzenesulfonic acid Openeye Name: 4-[[5-cyano-4-methyl-6-(2-methyl-4-sulfo-anilino)-2-pyridyl]amino]-3-methyl-benzenesulfonic acid CAS Name: 4-[[5-cyano-4-methyl-6-(2-methyl-4-sulfoanilino)-2-pyridinyl]amino]-3-methylbenzenesulfonic acid IUPAC Name: 4-[[5-cyano-4-methyl-6-(2-methyl-4-sulfoanilino)pyridin-2-yl]amino]-3-methylbenzenesulfonic acid Traditional Name: 4-[[5-cyano-4-methyl-6-(2-methyl-4-sulfo-anilino)-2-pyridyl]amino]-3-methyl-besylic acid Formula: C21H20N4O6S2 MolecularWeight: 488.5367

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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

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

InChI

InChI=1S/C21H20N4O6S2/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)