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

Systemtic Name: 4-[(E)-[2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]ethanoylhydrazinylidene]methyl]-2-ethoxy-phenolate Openeye Name: 4-[(E)-[[2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]hydrazono]methyl]-2-ethoxy-phenolate CAS Name: 4-[(E)-[[2-[4-(4-bromophenyl)sulfonyl-1-piperazin-1-iumyl]-1-oxoethyl]hydrazinylidene]methyl]-2-ethoxyphenolate IUPAC Name: 4-[(E)-[[2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]hydrazinylidene]methyl]-2-ethoxyphenolate Traditional Name: 4-[(E)-[[2-(4-brosylpiperazin-1-ium-1-yl)acetyl]hydrazono]methyl]-2-ethoxy-phenolate Formula: C21H25BrN4O5S MolecularWeight: 525.416

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25BrN4O5S/c1-2-31-20-13-16(3-8-19(20)27)14-23-24-21(28)15-25-9-11-26(12-10-25)32(29,30)18-6-4-17(22)5-7-18/h3-8,13-14,27H,2,9-12,15H2,1H3,(H,24,28)/b23-14+