methyl 2-[[4-cyano-1-(5-methylsulfonylpyridin-2-yl)-5-phenyl-pyrazol-3-yl]amino]ethanoate

Systemtic Name: methyl 2-[[4-cyano-1-(5-methylsulfonylpyridin-2-yl)-5-phenyl-pyrazol-3-yl]amino]ethanoate Openeye Name: methyl 2-[[4-cyano-1-(5-methylsulfonyl-2-pyridyl)-5-phenyl-pyrazol-3-yl]amino]acetate CAS Name: 2-[[4-cyano-1-(5-methylsulfonyl-2-pyridinyl)-5-phenyl-3-pyrazolyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[4-cyano-1-(5-methylsulfonylpyridin-2-yl)-5-phenylpyrazol-3-yl]amino]acetate Traditional Name: 2-[[4-cyano-1-(5-mesyl-2-pyridyl)-5-phenyl-pyrazol-3-yl]amino]acetic acid methyl ester Formula: C19H17N5O4S MolecularWeight: 411.43438

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CNC1=NN(C(=C1C#N)C2=CC=CC=C2)C3=NC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

COC(=O)CNC1=NN(C(=C1C#N)C2=CC=CC=C2)C3=NC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C19H17N5O4S/c1-28-17(25)12-22-19-15(10-20)18(13-6-4-3-5-7-13)24(23-19)16-9-8-14(11-21-16)29(2,26)27/h3-9,11H,12H2,1-2H3,(H,22,23)