1-[4-(phenylsulfonyl)piperazin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone

Systemtic Name: 1-[4-(phenylsulfonyl)piperazin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone Openeye Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone CAS Name: 1-[4-(benzenesulfonyl)-1-piperazinyl]-2-[3-(trifluoromethyl)-1-pyrazolyl]ethanone IUPAC Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone Traditional Name: 1-(4-besylpiperazino)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone Formula: C16H17F3N4O3S MolecularWeight: 402.39139

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CN2C=CC(=N2)C(F)(F)F)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C(=O)CN2C=CC(=N2)C(F)(F)F)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C16H17F3N4O3S/c17-16(18,19)14-6-7-22(20-14)12-15(24)21-8-10-23(11-9-21)27(25,26)13-4-2-1-3-5-13/h1-7H,8-12H2