2-methyl-5-[(1-methylpyrazol-4-yl)methylsulfonyl]benzoic acid

Systemtic Name: 2-methyl-5-[(1-methylpyrazol-4-yl)methylsulfonyl]benzoic acid Openeye Name: 2-methyl-5-[(1-methylpyrazol-4-yl)methylsulfonyl]benzoic acid CAS Name: 2-methyl-5-[(1-methyl-4-pyrazolyl)methylsulfonyl]benzoic acid IUPAC Name: 2-methyl-5-[(1-methylpyrazol-4-yl)methylsulfonyl]benzoic acid Traditional Name: 2-methyl-5-[(1-methylpyrazol-4-yl)methylsulfonyl]benzoic acid Formula: C13H14N2O4S MolecularWeight: 294.32626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)CC2=CN(N=C2)C)C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)CC2=CN(N=C2)C)C(=O)O

InChI

InChI=1S/C13H14N2O4S/c1-9-3-4-11(5-12(9)13(16)17)20(18,19)8-10-6-14-15(2)7-10/h3-7H,8H2,1-2H3,(H,16,17)