1-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone

Systemtic Name: 1-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone Openeye Name: 1-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone CAS Name: 1-[4-(3-bromophenyl)sulfonyl-1-piperazinyl]-2-(3,5-dimethyl-1-pyrazolyl)ethanone IUPAC Name: 1-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone Traditional Name: 1-[4-(3-bromophenyl)sulfonylpiperazino]-2-(3,5-dimethylpyrazol-1-yl)ethanone Formula: C17H21BrN4O3S MolecularWeight: 441.34264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21BrN4O3S/c1-13-10-14(2)22(19-13)12-17(23)20-6-8-21(9-7-20)26(24,25)16-5-3-4-15(18)11-16/h3-5,10-11H,6-9,12H2,1-2H3