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

Systemtic Name: 2-[(E)-[2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]ethanoylhydrazinylidene]methyl]-6-ethoxy-phenolate Openeye Name: 2-[(E)-[[2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]hydrazono]methyl]-6-ethoxy-phenolate CAS Name: 2-[(E)-[[2-[4-(4-bromophenyl)sulfonyl-1-piperazin-1-iumyl]-1-oxoethyl]hydrazinylidene]methyl]-6-ethoxyphenolate IUPAC Name: 2-[(E)-[[2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]hydrazinylidene]methyl]-6-ethoxyphenolate Traditional Name: 2-[(E)-[[2-(4-brosylpiperazin-1-ium-1-yl)acetyl]hydrazono]methyl]-6-ethoxy-phenolate Formula: C21H25BrN4O5S MolecularWeight: 525.416

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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)Br

Isomeric SMILES

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

InChI

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