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

Systemtic Name: tert-butyl 2-[4-(4-ethanoylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanoate Openeye Name: tert-butyl 2-[4-(4-acetylphenyl)sulfonylpiperazin-1-ium-1-yl]acetate CAS Name: 2-[4-(4-acetylphenyl)sulfonyl-1-piperazin-1-iumyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-(4-acetylphenyl)sulfonylpiperazin-1-ium-1-yl]acetate Traditional Name: 2-[4-(4-acetylphenyl)sulfonylpiperazin-1-ium-1-yl]acetic acid tert-butyl ester Formula: C18H27N2O5S+ MolecularWeight: 383.48238

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)OC(C)(C)C

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)OC(C)(C)C

InChI

InChI=1S/C18H26N2O5S/c1-14(21)15-5-7-16(8-6-15)26(23,24)20-11-9-19(10-12-20)13-17(22)25-18(2,3)4/h5-8H,9-13H2,1-4H3/p+1