2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-1-[4-(phenylsulfonyl)piperazin-1-yl]ethanone

Systemtic Name: 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-1-[4-(phenylsulfonyl)piperazin-1-yl]ethanone Openeye Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(1-isobutyl-3,5-dimethyl-pyrazol-4-yl)ethanone CAS Name: 1-[4-(benzenesulfonyl)-1-piperazinyl]-2-[3,5-dimethyl-1-(2-methylpropyl)-4-pyrazolyl]ethanone IUPAC Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]ethanone Traditional Name: 1-(4-besylpiperazino)-2-(1-isobutyl-3,5-dimethyl-pyrazol-4-yl)ethanone Formula: C21H30N4O3S MolecularWeight: 418.5529

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(C)C)C)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NN1CC(C)C)C)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H30N4O3S/c1-16(2)15-25-18(4)20(17(3)22-25)14-21(26)23-10-12-24(13-11-23)29(27,28)19-8-6-5-7-9-19/h5-9,16H,10-15H2,1-4H3