2-[4-[(1-methylpyrazol-4-yl)methylsulfonyl]phenyl]ethanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O4S/c1-15-8-11(7-14-15)9-20(18,19)12-4-2-10(3-5-12)6-13(16)17/h2-5,7-8H,6,9H2,1H3,(H,16,17)