1-[4-[3,5-bis(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-3-methyl-butan-1-one

Systemtic Name: 1-[4-[3,5-bis(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-3-methyl-butan-1-one Openeye Name: 1-[4-[3,5-bis(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-3-methyl-butan-1-one CAS Name: 1-[4-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-1-piperazinyl]-3-methyl-1-butanone IUPAC Name: 1-[4-[3,5-bis(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-3-methylbutan-1-one Traditional Name: 1-[4-[3,5-bis(trifluoromethyl)phenyl]sulfonylpiperazino]-3-methyl-butan-1-one Formula: C17H20F6N2O3S MolecularWeight: 446.407719

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20F6N2O3S/c1-11(2)7-15(26)24-3-5-25(6-4-24)29(27,28)14-9-12(16(18,19)20)8-13(10-14)17(21,22)23/h8-11H,3-7H2,1-2H3