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

Systemtic Name: 2-methoxy-6-[(Z)-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanoylhydrazinylidene]methyl]phenolate Openeye Name: 2-methoxy-6-[(Z)-[[2-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]acetyl]hydrazono]methyl]phenolate CAS Name: 2-methoxy-6-[(Z)-[[2-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]-1-oxoethyl]hydrazinylidene]methyl]phenolate IUPAC Name: 2-methoxy-6-[(Z)-[[2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]hydrazinylidene]methyl]phenolate Traditional Name: 2-methoxy-6-[(Z)-[[2-(4-tosylpiperazin-1-ium-1-yl)acetyl]hydrazono]methyl]phenolate Formula: C21H26N4O5S MolecularWeight: 446.51994

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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)OC)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O5S/c1-16-6-8-18(9-7-16)31(28,29)25-12-10-24(11-13-25)15-20(26)23-22-14-17-4-3-5-19(30-2)21(17)27/h3-9,14,27H,10-13,15H2,1-2H3,(H,23,26)/b22-14-