tert-butyl 2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]ethanoate

Systemtic Name: tert-butyl 2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]ethanoate Openeye Name: tert-butyl 2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]acetate CAS Name: 2-[4-[4-(trifluoromethyl)phenyl]sulfonyl-1-piperazin-1-iumyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]acetate Traditional Name: 2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]acetic acid tert-butyl ester Formula: C17H24F3N2O4S+ MolecularWeight: 409.44367

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(F)(F)F

Isomeric SMILES

CC(C)(C)OC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C17H23F3N2O4S/c1-16(2,3)26-15(23)12-21-8-10-22(11-9-21)27(24,25)14-6-4-13(5-7-14)17(18,19)20/h4-7H,8-12H2,1-3H3/p+1