tert-butyl 2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]ethanoate

Systemtic Name: tert-butyl 2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]ethanoate Openeye Name: tert-butyl 2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]acetate CAS Name: 2-[4-(3,4-dimethoxyphenyl)sulfonyl-1-piperazin-1-iumyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]acetate Traditional Name: 2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]acetic acid tert-butyl ester Formula: C18H29N2O6S+ MolecularWeight: 401.49766

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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)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C18H28N2O6S/c1-18(2,3)26-17(21)13-19-8-10-20(11-9-19)27(22,23)14-6-7-15(24-4)16(12-14)25-5/h6-7,12H,8-11,13H2,1-5H3/p+1