1-[3,5-dimethyl-4-(phenylsulfonylmethyl)pyrazol-1-yl]ethanone

Systemtic Name: 1-[3,5-dimethyl-4-(phenylsulfonylmethyl)pyrazol-1-yl]ethanone Openeye Name: 1-[4-(benzenesulfonylmethyl)-3,5-dimethyl-pyrazol-1-yl]ethanone CAS Name: 1-[4-(benzenesulfonylmethyl)-3,5-dimethyl-1-pyrazolyl]ethanone IUPAC Name: 1-[4-(benzenesulfonylmethyl)-3,5-dimethylpyrazol-1-yl]ethanone Traditional Name: 1-[4-(besylmethyl)-3,5-dimethyl-pyrazol-1-yl]ethanone Formula: C14H16N2O3S MolecularWeight: 292.35344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(=O)C)C)CS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC1=C(C(=NN1C(=O)C)C)CS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C14H16N2O3S/c1-10-14(11(2)16(15-10)12(3)17)9-20(18,19)13-7-5-4-6-8-13/h4-8H,9H2,1-3H3