tert-butyl 2-methyl-4-(4-methylsulfonylphenyl)-5-pyridin-4-yl-pyrazole-3-carboxylate

Systemtic Name: tert-butyl 2-methyl-4-(4-methylsulfonylphenyl)-5-pyridin-4-yl-pyrazole-3-carboxylate Openeye Name: tert-butyl 2-methyl-4-(4-methylsulfonylphenyl)-5-(4-pyridyl)pyrazole-3-carboxylate CAS Name: 2-methyl-4-(4-methylsulfonylphenyl)-5-pyridin-4-yl-3-pyrazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-methyl-4-(4-methylsulfonylphenyl)-5-pyridin-4-ylpyrazole-3-carboxylate Traditional Name: 4-(4-mesylphenyl)-2-methyl-5-(4-pyridyl)pyrazole-3-carboxylic acid tert-butyl ester Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=C(C(=NN1C)C2=CC=NC=C2)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC(C)(C)OC(=O)C1=C(C(=NN1C)C2=CC=NC=C2)C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C21H23N3O4S/c1-21(2,3)28-20(25)19-17(14-6-8-16(9-7-14)29(5,26)27)18(23-24(19)4)15-10-12-22-13-11-15/h6-13H,1-5H3