methyl 2-[2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanoylamino]ethanoate

Systemtic Name: methyl 2-[2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanoylamino]ethanoate Openeye Name: methyl 2-[[2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]acetyl]amino]acetate CAS Name: 2-[[2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]acetyl]amino]acetate Traditional Name: 2-[[2-(4-besylpiperazin-1-ium-1-yl)acetyl]amino]acetic acid methyl ester Formula: C15H22N3O5S+ MolecularWeight: 356.41728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N3O5S/c1-23-15(20)11-16-14(19)12-17-7-9-18(10-8-17)24(21,22)13-5-3-2-4-6-13/h2-6H,7-12H2,1H3,(H,16,19)/p+1