(4-tert-butylphenyl)-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone

Systemtic Name: (4-tert-butylphenyl)-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone Openeye Name: (4-tert-butylphenyl)-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone CAS Name: (4-tert-butylphenyl)-[4-[2-(trifluoromethyl)phenyl]sulfonyl-1-piperazinyl]methanone IUPAC Name: (4-tert-butylphenyl)-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone Traditional Name: (4-tert-butylphenyl)-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazino]methanone Formula: C22H25F3N2O3S MolecularWeight: 454.50571

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(F)(F)F

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C22H25F3N2O3S/c1-21(2,3)17-10-8-16(9-11-17)20(28)26-12-14-27(15-13-26)31(29,30)19-7-5-4-6-18(19)22(23,24)25/h4-11H,12-15H2,1-3H3