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

Systemtic Name: tert-butyl 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]ethanoate Openeye Name: tert-butyl 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]acetate CAS Name: 2-[4-(4-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]acetate Traditional Name: 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]acetic acid tert-butyl ester Formula: C16H24FN2O4S+ MolecularWeight: 359.436163

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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)F

Isomeric SMILES

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

InChI

InChI=1S/C16H23FN2O4S/c1-16(2,3)23-15(20)12-18-8-10-19(11-9-18)24(21,22)14-6-4-13(17)5-7-14/h4-7H,8-12H2,1-3H3/p+1