methyl 3-[1-(4-methylphenyl)sulfonylpyrazol-3-yl]propanoate

Systemtic Name: methyl 3-[1-(4-methylphenyl)sulfonylpyrazol-3-yl]propanoate Openeye Name: methyl 3-[1-(p-tolylsulfonyl)pyrazol-3-yl]propanoate CAS Name: 3-[1-(4-methylphenyl)sulfonyl-3-pyrazolyl]propanoic acid methyl ester IUPAC Name: methyl 3-[1-(4-methylphenyl)sulfonylpyrazol-3-yl]propanoate Traditional Name: 3-(1-tosylpyrazol-3-yl)propionic acid methyl ester Formula: C14H16N2O4S MolecularWeight: 308.35284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=CC(=N2)CCC(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=CC(=N2)CCC(=O)OC

InChI

InChI=1S/C14H16N2O4S/c1-11-3-6-13(7-4-11)21(18,19)16-10-9-12(15-16)5-8-14(17)20-2/h3-4,6-7,9-10H,5,8H2,1-2H3