3,3-dimethyl-1-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]butan-1-one

Systemtic Name: 3,3-dimethyl-1-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]butan-1-one Openeye Name: 3,3-dimethyl-1-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]butan-1-one CAS Name: 3,3-dimethyl-1-[4-[3-(trifluoromethyl)phenyl]sulfonyl-1-piperazinyl]-1-butanone IUPAC Name: 3,3-dimethyl-1-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]butan-1-one Traditional Name: 3,3-dimethyl-1-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazino]butan-1-one Formula: C17H23F3N2O3S MolecularWeight: 392.43633

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(F)(F)F

Isomeric SMILES

CC(C)(C)CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(F)(F)F

InChI

InChI=1S/C17H23F3N2O3S/c1-16(2,3)12-15(23)21-7-9-22(10-8-21)26(24,25)14-6-4-5-13(11-14)17(18,19)20/h4-6,11H,7-10,12H2,1-3H3