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

Systemtic Name: 1-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]ethanone Openeye Name: 1-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-2-(1-isobutyl-3,5-dimethyl-pyrazol-4-yl)ethanone CAS Name: 1-[4-(3-bromophenyl)sulfonyl-1-piperazinyl]-2-[3,5-dimethyl-1-(2-methylpropyl)-4-pyrazolyl]ethanone IUPAC Name: 1-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]ethanone Traditional Name: 1-[4-(3-bromophenyl)sulfonylpiperazino]-2-(1-isobutyl-3,5-dimethyl-pyrazol-4-yl)ethanone Formula: C21H29BrN4O3S MolecularWeight: 497.44896

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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)Br

Isomeric SMILES

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

InChI

InChI=1S/C21H29BrN4O3S/c1-15(2)14-26-17(4)20(16(3)23-26)13-21(27)24-8-10-25(11-9-24)30(28,29)19-7-5-6-18(22)12-19/h5-7,12,15H,8-11,13-14H2,1-4H3