[2-[(4-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate

Systemtic Name: [2-[(4-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate Openeye Name: [2-(4-methylsulfonylanilino)-2-oxo-ethyl] 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate CAS Name: 6-(3,5-dimethyl-1-pyrazolyl)-3-pyridinecarboxylic acid [2-(4-methylsulfonylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfonylanilino)-2-oxoethyl] 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate Traditional Name: 6-(3,5-dimethylpyrazol-1-yl)nicotinic acid [2-keto-2-(4-mesylanilino)ethyl] ester Formula: C20H20N4O5S MolecularWeight: 428.4616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=NC=C(C=C2)C(=O)OCC(=O)NC3=CC=C(C=C3)S(=O)(=O)C)C

Isomeric SMILES

CC1=CC(=NN1C2=NC=C(C=C2)C(=O)OCC(=O)NC3=CC=C(C=C3)S(=O)(=O)C)C

InChI

InChI=1S/C20H20N4O5S/c1-13-10-14(2)24(23-13)18-9-4-15(11-21-18)20(26)29-12-19(25)22-16-5-7-17(8-6-16)30(3,27)28/h4-11H,12H2,1-3H3,(H,22,25)