3-[(1-methylpyrazol-4-yl)methylsulfonyl]benzoic acid

Systemtic Name: 3-[(1-methylpyrazol-4-yl)methylsulfonyl]benzoic acid Openeye Name: 3-[(1-methylpyrazol-4-yl)methylsulfonyl]benzoic acid CAS Name: 3-[(1-methyl-4-pyrazolyl)methylsulfonyl]benzoic acid IUPAC Name: 3-[(1-methylpyrazol-4-yl)methylsulfonyl]benzoic acid Traditional Name: 3-[(1-methylpyrazol-4-yl)methylsulfonyl]benzoic acid Formula: C12H12N2O4S MolecularWeight: 280.29968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N2O4S/c1-14-7-9(6-13-14)8-19(17,18)11-4-2-3-10(5-11)12(15)16/h2-7H,8H2,1H3,(H,15,16)