methyl 2-[2-[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]ethanoylamino]ethanoate

Systemtic Name: methyl 2-[2-[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]ethanoylamino]ethanoate Openeye Name: methyl 2-[[2-(4-benzylsulfonylpiperazin-1-ium-1-yl)acetyl]amino]acetate CAS Name: 2-[[1-oxo-2-[4-(phenylmethyl)sulfonyl-1-piperazin-1-iumyl]ethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[2-(4-benzylsulfonylpiperazin-1-ium-1-yl)acetyl]amino]acetate Traditional Name: 2-[[2-(4-benzylsulfonylpiperazin-1-ium-1-yl)acetyl]amino]acetic acid methyl ester Formula: C16H24N3O5S+ MolecularWeight: 370.44386

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CNC(=O)C[NH+]1CCN(CC1)S(=O)(=O)CC2=CC=CC=C2

Isomeric SMILES

COC(=O)CNC(=O)C[NH+]1CCN(CC1)S(=O)(=O)CC2=CC=CC=C2

InChI

InChI=1S/C16H23N3O5S/c1-24-16(21)11-17-15(20)12-18-7-9-19(10-8-18)25(22,23)13-14-5-3-2-4-6-14/h2-6H,7-13H2,1H3,(H,17,20)/p+1