4-[(E)-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanoylhydrazinylidene]methyl]benzoate

Systemtic Name: 4-[(E)-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanoylhydrazinylidene]methyl]benzoate Openeye Name: 4-[(E)-[[2-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]acetyl]hydrazono]methyl]benzoate CAS Name: 4-[(E)-[[2-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]-1-oxoethyl]hydrazinylidene]methyl]benzoate IUPAC Name: 4-[(E)-[[2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]hydrazinylidene]methyl]benzoate Traditional Name: 4-[(E)-[[2-(4-tosylpiperazin-1-ium-1-yl)acetyl]hydrazono]methyl]benzoate Formula: C21H24N4O5S MolecularWeight: 444.50406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NN=CC3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)N/N=C/C3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C21H24N4O5S/c1-16-2-8-19(9-3-16)31(29,30)25-12-10-24(11-13-25)15-20(26)23-22-14-17-4-6-18(7-5-17)21(27)28/h2-9,14H,10-13,15H2,1H3,(H,23,26)(H,27,28)/b22-14+