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

Systemtic Name: 3-[4-[(1-methylpyrazol-4-yl)methylsulfonyl]phenyl]propanoic acid Openeye Name: 3-[4-[(1-methylpyrazol-4-yl)methylsulfonyl]phenyl]propanoic acid CAS Name: 3-[4-[(1-methyl-4-pyrazolyl)methylsulfonyl]phenyl]propanoic acid IUPAC Name: 3-[4-[(1-methylpyrazol-4-yl)methylsulfonyl]phenyl]propanoic acid Traditional Name: 3-[4-[(1-methylpyrazol-4-yl)methylsulfonyl]phenyl]propionic acid Formula: C14H16N2O4S MolecularWeight: 308.35284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N2O4S/c1-16-9-12(8-15-16)10-21(19,20)13-5-2-11(3-6-13)4-7-14(17)18/h2-3,5-6,8-9H,4,7,10H2,1H3,(H,17,18)