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

Systemtic Name: 1-[4-[4-chloranyl-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-3,3-dimethyl-butan-1-one Openeye Name: 1-[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-3,3-dimethyl-butan-1-one CAS Name: 1-[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-1-piperazinyl]-3,3-dimethyl-1-butanone IUPAC Name: 1-[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-3,3-dimethylbutan-1-one Traditional Name: 1-[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazino]-3,3-dimethyl-butan-1-one Formula: C17H22ClF3N2O3S MolecularWeight: 426.88139

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22ClF3N2O3S/c1-16(2,3)11-15(24)22-6-8-23(9-7-22)27(25,26)12-4-5-14(18)13(10-12)17(19,20)21/h4-5,10H,6-9,11H2,1-3H3