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

Systemtic Name: 2-[(E)-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanoylhydrazinylidene]methyl]-6-prop-2-enyl-phenolate Openeye Name: 2-allyl-6-[(E)-[[2-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]acetyl]hydrazono]methyl]phenolate CAS Name: 2-[(E)-[[2-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]-1-oxoethyl]hydrazinylidene]methyl]-6-prop-2-enylphenolate IUPAC Name: 2-[(E)-[[2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]hydrazinylidene]methyl]-6-prop-2-enylphenolate Traditional Name: 2-allyl-6-[(E)-[[2-(4-tosylpiperazin-1-ium-1-yl)acetyl]hydrazono]methyl]phenolate Formula: C23H28N4O4S MolecularWeight: 456.55782

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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)CC=C)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C23H28N4O4S/c1-3-5-19-6-4-7-20(23(19)29)16-24-25-22(28)17-26-12-14-27(15-13-26)32(30,31)21-10-8-18(2)9-11-21/h3-4,6-11,16,29H,1,5,12-15,17H2,2H3,(H,25,28)/b24-16+