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

Systemtic Name: methyl 2-[2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]ethanoylamino]ethanoate Openeye Name: methyl 2-[[2-[4-[(E)-styryl]sulfonylpiperazin-1-ium-1-yl]acetyl]amino]acetate CAS Name: 2-[[1-oxo-2-[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazin-1-iumyl]ethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]acetyl]amino]acetate Traditional Name: 2-[[2-[4-[(E)-styryl]sulfonylpiperazin-1-ium-1-yl]acetyl]amino]acetic acid methyl ester Formula: C17H24N3O5S+ MolecularWeight: 382.45456

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3O5S/c1-25-17(22)13-18-16(21)14-19-8-10-20(11-9-19)26(23,24)12-7-15-5-3-2-4-6-15/h2-7,12H,8-11,13-14H2,1H3,(H,18,21)/p+1/b12-7+