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

Systemtic Name: 2-methoxy-5-[(1-methylpyrazol-4-yl)methylsulfonyl]benzoic acid Openeye Name: 2-methoxy-5-[(1-methylpyrazol-4-yl)methylsulfonyl]benzoic acid CAS Name: 2-methoxy-5-[(1-methyl-4-pyrazolyl)methylsulfonyl]benzoic acid IUPAC Name: 2-methoxy-5-[(1-methylpyrazol-4-yl)methylsulfonyl]benzoic acid Traditional Name: 2-methoxy-5-[(1-methylpyrazol-4-yl)methylsulfonyl]benzoic acid Formula: C13H14N2O5S MolecularWeight: 310.32566

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)CS(=O)(=O)C2=CC(=C(C=C2)OC)C(=O)O

Isomeric SMILES

CN1C=C(C=N1)CS(=O)(=O)C2=CC(=C(C=C2)OC)C(=O)O

InChI

InChI=1S/C13H14N2O5S/c1-15-7-9(6-14-15)8-21(18,19)10-3-4-12(20-2)11(5-10)13(16)17/h3-7H,8H2,1-2H3,(H,16,17)