2-ethoxy-6-[(E)-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanoylhydrazinylidene]methyl]phenolate

Systemtic Name: 2-ethoxy-6-[(E)-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanoylhydrazinylidene]methyl]phenolate Openeye Name: 2-ethoxy-6-[(E)-[[2-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]acetyl]hydrazono]methyl]phenolate CAS Name: 2-ethoxy-6-[(E)-[[2-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]-1-oxoethyl]hydrazinylidene]methyl]phenolate IUPAC Name: 2-ethoxy-6-[(E)-[[2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]hydrazinylidene]methyl]phenolate Traditional Name: 2-ethoxy-6-[(E)-[[2-(4-tosylpiperazin-1-ium-1-yl)acetyl]hydrazono]methyl]phenolate Formula: C22H28N4O5S MolecularWeight: 460.54652

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1[O-])C=NNC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC1=CC=CC(=C1[O-])/C=N/NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C22H28N4O5S/c1-3-31-20-6-4-5-18(22(20)28)15-23-24-21(27)16-25-11-13-26(14-12-25)32(29,30)19-9-7-17(2)8-10-19/h4-10,15,28H,3,11-14,16H2,1-2H3,(H,24,27)/b23-15+