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

Systemtic Name: 4-[(E)-[2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]ethanoylhydrazinylidene]methyl]benzoate Openeye Name: 4-[(E)-[[2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]hydrazono]methyl]benzoate CAS Name: 4-[(E)-[[2-[4-(4-bromophenyl)sulfonyl-1-piperazin-1-iumyl]-1-oxoethyl]hydrazinylidene]methyl]benzoate IUPAC Name: 4-[(E)-[[2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]hydrazinylidene]methyl]benzoate Traditional Name: 4-[(E)-[[2-(4-brosylpiperazin-1-ium-1-yl)acetyl]hydrazono]methyl]benzoate Formula: C20H21BrN4O5S MolecularWeight: 509.37354

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NN=CC2=CC=C(C=C2)C(=O)[O-])S(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N/N=C/C2=CC=C(C=C2)C(=O)[O-])S(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C20H21BrN4O5S/c21-17-5-7-18(8-6-17)31(29,30)25-11-9-24(10-12-25)14-19(26)23-22-13-15-1-3-16(4-2-15)20(27)28/h1-8,13H,9-12,14H2,(H,23,26)(H,27,28)/b22-13+