2-[[5-cyano-3,4-dimethyl-6-[methyl(phenyl)amino]pyridin-2-yl]amino]ethanesulfonic acid

Systemtic Name: 2-[[5-cyano-3,4-dimethyl-6-[methyl(phenyl)amino]pyridin-2-yl]amino]ethanesulfonic acid Openeye Name: 2-[[5-cyano-3,4-dimethyl-6-(N-methylanilino)-2-pyridyl]amino]ethanesulfonic acid CAS Name: 2-[[5-cyano-3,4-dimethyl-6-(N-methylanilino)-2-pyridinyl]amino]ethanesulfonic acid IUPAC Name: 2-[[5-cyano-3,4-dimethyl-6-(N-methylanilino)pyridin-2-yl]amino]ethanesulfonic acid Traditional Name: 2-[[5-cyano-3,4-dimethyl-6-(N-methylanilino)-2-pyridyl]amino]ethanesulfonic acid Formula: C17H20N4O3S MolecularWeight: 360.4307

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=C1C)NCCS(=O)(=O)O)N(C)C2=CC=CC=C2)C#N

Isomeric SMILES

CC1=C(C(=NC(=C1C)NCCS(=O)(=O)O)N(C)C2=CC=CC=C2)C#N

InChI

InChI=1S/C17H20N4O3S/c1-12-13(2)16(19-9-10-25(22,23)24)20-17(15(12)11-18)21(3)14-7-5-4-6-8-14/h4-8H,9-10H2,1-3H3,(H,19,20)(H,22,23,24)