3,5-dimethyl-1-(3-methylsulfonylphenyl)sulfonyl-pyrazole

Systemtic Name: 3,5-dimethyl-1-(3-methylsulfonylphenyl)sulfonyl-pyrazole Openeye Name: 3,5-dimethyl-1-(3-methylsulfonylphenyl)sulfonyl-pyrazole CAS Name: 3,5-dimethyl-1-(3-methylsulfonylphenyl)sulfonylpyrazole IUPAC Name: 3,5-dimethyl-1-(3-methylsulfonylphenyl)sulfonylpyrazole Traditional Name: 1-(3-mesylphenyl)sulfonyl-3,5-dimethyl-pyrazole Formula: C12H14N2O4S2 MolecularWeight: 314.38056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1S(=O)(=O)C2=CC=CC(=C2)S(=O)(=O)C)C

Isomeric SMILES

CC1=CC(=NN1S(=O)(=O)C2=CC=CC(=C2)S(=O)(=O)C)C

InChI

InChI=1S/C12H14N2O4S2/c1-9-7-10(2)14(13-9)20(17,18)12-6-4-5-11(8-12)19(3,15)16/h4-8H,1-3H3