4-bromanyl-2-[(Z)-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanoylhydrazinylidene]methyl]phenolate

Systemtic Name: 4-bromanyl-2-[(Z)-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanoylhydrazinylidene]methyl]phenolate Openeye Name: 4-bromo-2-[(Z)-[[2-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]acetyl]hydrazono]methyl]phenolate CAS Name: 4-bromo-2-[(Z)-[[2-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]-1-oxoethyl]hydrazinylidene]methyl]phenolate IUPAC Name: 4-bromo-2-[(Z)-[[2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]hydrazinylidene]methyl]phenolate Traditional Name: 4-bromo-2-[(Z)-[[2-(4-tosylpiperazin-1-ium-1-yl)acetyl]hydrazono]methyl]phenolate Formula: C20H23BrN4O4S MolecularWeight: 495.39002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NN=CC3=C(C=CC(=C3)Br)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)N/N=C\C3=C(C=CC(=C3)Br)[O-]

InChI

InChI=1S/C20H23BrN4O4S/c1-15-2-5-18(6-3-15)30(28,29)25-10-8-24(9-11-25)14-20(27)23-22-13-16-12-17(21)4-7-19(16)26/h2-7,12-13,26H,8-11,14H2,1H3,(H,23,27)/b22-13-