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

Systemtic Name: tert-butyl 2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]ethanoate Openeye Name: tert-butyl 2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]acetate CAS Name: 2-[4-(4-methoxyphenyl)sulfonyl-1-piperazin-1-iumyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]acetate Traditional Name: 2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]acetic acid tert-butyl ester Formula: C17H27N2O5S+ MolecularWeight: 371.47168

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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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N2O5S/c1-17(2,3)24-16(20)13-18-9-11-19(12-10-18)25(21,22)15-7-5-14(23-4)6-8-15/h5-8H,9-13H2,1-4H3/p+1