methyl 2-methyl-5-methylsulfonyl-4-pyrazol-1-yl-benzoate

Systemtic Name: methyl 2-methyl-5-methylsulfonyl-4-pyrazol-1-yl-benzoate Openeye Name: methyl 2-methyl-5-methylsulfonyl-4-pyrazol-1-yl-benzoate CAS Name: 2-methyl-5-methylsulfonyl-4-(1-pyrazolyl)benzoic acid methyl ester IUPAC Name: methyl 2-methyl-5-methylsulfonyl-4-pyrazol-1-ylbenzoate Traditional Name: 5-mesyl-2-methyl-4-pyrazol-1-yl-benzoic acid methyl ester Formula: C13H14N2O4S MolecularWeight: 294.32626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)OC)S(=O)(=O)C)N2C=CC=N2

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)OC)S(=O)(=O)C)N2C=CC=N2

InChI

InChI=1S/C13H14N2O4S/c1-9-7-11(15-6-4-5-14-15)12(20(3,17)18)8-10(9)13(16)19-2/h4-8H,1-3H3