4-[(E)-C-ethyl-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanoylamino]carbonimidoyl]phenolate

Systemtic Name: 4-[(E)-C-ethyl-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanoylamino]carbonimidoyl]phenolate Openeye Name: 4-[(E)-C-ethyl-N-[[2-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]acetyl]amino]carbonimidoyl]phenolate CAS Name: 4-[(1E)-1-[[2-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]-1-oxoethyl]hydrazinylidene]propyl]phenolate IUPAC Name: 4-[(E)-C-ethyl-N-[[2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]amino]carbonimidoyl]phenolate Traditional Name: 4-[(E)-C-ethyl-N-[[2-(4-tosylpiperazin-1-ium-1-yl)acetyl]amino]carbonimidoyl]phenolate Formula: C22H28N4O4S MolecularWeight: 444.54712

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=NNC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C)C3=CC=C(C=C3)[O-]

Isomeric SMILES

CC/C(=N\NC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C)/C3=CC=C(C=C3)[O-]

InChI

InChI=1S/C22H28N4O4S/c1-3-21(18-6-8-19(27)9-7-18)23-24-22(28)16-25-12-14-26(15-13-25)31(29,30)20-10-4-17(2)5-11-20/h4-11,27H,3,12-16H2,1-2H3,(H,24,28)/b23-21+