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

Systemtic Name: 2-bromanyl-6-methoxy-4-[(E)-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanoylhydrazinylidene]methyl]phenolate Openeye Name: 2-bromo-6-methoxy-4-[(E)-[[2-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]acetyl]hydrazono]methyl]phenolate CAS Name: 2-bromo-6-methoxy-4-[(E)-[[2-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]-1-oxoethyl]hydrazinylidene]methyl]phenolate IUPAC Name: 2-bromo-6-methoxy-4-[(E)-[[2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]hydrazinylidene]methyl]phenolate Traditional Name: 2-bromo-6-methoxy-4-[(E)-[[2-(4-tosylpiperazin-1-ium-1-yl)acetyl]hydrazono]methyl]phenolate Formula: C21H25BrN4O5S MolecularWeight: 525.416

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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=CC(=C(C(=C3)Br)[O-])OC

Isomeric SMILES

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

InChI

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