methyl 3-methylsulfonyl-4-pyrazol-1-yl-benzoate

Systemtic Name: methyl 3-methylsulfonyl-4-pyrazol-1-yl-benzoate Openeye Name: methyl 3-methylsulfonyl-4-pyrazol-1-yl-benzoate CAS Name: 3-methylsulfonyl-4-(1-pyrazolyl)benzoic acid methyl ester IUPAC Name: methyl 3-methylsulfonyl-4-pyrazol-1-ylbenzoate Traditional Name: 3-mesyl-4-pyrazol-1-yl-benzoic acid methyl ester Formula: C12H12N2O4S MolecularWeight: 280.29968

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)N2C=CC=N2)S(=O)(=O)C

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)N2C=CC=N2)S(=O)(=O)C

InChI

InChI=1S/C12H12N2O4S/c1-18-12(15)9-4-5-10(14-7-3-6-13-14)11(8-9)19(2,16)17/h3-8H,1-2H3