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

Systemtic Name: 2-[(E)-[2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]ethanoylhydrazinylidene]methyl]-6-methoxy-phenolate Openeye Name: 2-[(E)-[[2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]hydrazono]methyl]-6-methoxy-phenolate CAS Name: 2-[(E)-[[2-[4-(4-bromophenyl)sulfonyl-1-piperazin-1-iumyl]-1-oxoethyl]hydrazinylidene]methyl]-6-methoxyphenolate IUPAC Name: 2-[(E)-[[2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]hydrazinylidene]methyl]-6-methoxyphenolate Traditional Name: 2-[(E)-[[2-(4-brosylpiperazin-1-ium-1-yl)acetyl]hydrazono]methyl]-6-methoxy-phenolate Formula: C20H23BrN4O5S MolecularWeight: 511.38942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23BrN4O5S/c1-30-18-4-2-3-15(20(18)27)13-22-23-19(26)14-24-9-11-25(12-10-24)31(28,29)17-7-5-16(21)6-8-17/h2-8,13,27H,9-12,14H2,1H3,(H,23,26)/b22-13+