2-methyl-5-methylsulfonyl-4-pyrazol-1-yl-benzoic acid

Systemtic Name: 2-methyl-5-methylsulfonyl-4-pyrazol-1-yl-benzoic acid Openeye Name: 2-methyl-5-methylsulfonyl-4-pyrazol-1-yl-benzoic acid CAS Name: 2-methyl-5-methylsulfonyl-4-(1-pyrazolyl)benzoic acid IUPAC Name: 2-methyl-5-methylsulfonyl-4-pyrazol-1-ylbenzoic acid Traditional Name: 5-mesyl-2-methyl-4-pyrazol-1-yl-benzoic acid Formula: C12H12N2O4S MolecularWeight: 280.29968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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