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

Systemtic Name: 2-bromanyl-4-[(E)-[2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]ethanoylhydrazinylidene]methyl]-6-methoxy-phenolate Openeye Name: 2-bromo-4-[(E)-[[2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]hydrazono]methyl]-6-methoxy-phenolate CAS Name: 2-bromo-4-[(E)-[[2-[4-(4-bromophenyl)sulfonyl-1-piperazin-1-iumyl]-1-oxoethyl]hydrazinylidene]methyl]-6-methoxyphenolate IUPAC Name: 2-bromo-4-[(E)-[[2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]hydrazinylidene]methyl]-6-methoxyphenolate Traditional Name: 2-bromo-4-[(E)-[[2-(4-brosylpiperazin-1-ium-1-yl)acetyl]hydrazono]methyl]-6-methoxy-phenolate Formula: C20H22Br2N4O5S MolecularWeight: 590.28548

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=NNC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Br)Br)[O-]

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=N/NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Br)Br)[O-]

InChI

InChI=1S/C20H22Br2N4O5S/c1-31-18-11-14(10-17(22)20(18)28)12-23-24-19(27)13-25-6-8-26(9-7-25)32(29,30)16-4-2-15(21)3-5-16/h2-5,10-12,28H,6-9,13H2,1H3,(H,24,27)/b23-12+