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

Systemtic Name: 2-[(E)-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanoylhydrazinylidene]methyl]phenolate Openeye Name: 2-[(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]phenolate IUPAC Name: 2-[(E)-[[2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]hydrazinylidene]methyl]phenolate Traditional Name: 2-[(E)-[[2-(4-tosylpiperazin-1-ium-1-yl)acetyl]hydrazono]methyl]phenolate Formula: C20H24N4O4S MolecularWeight: 416.49396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N4O4S/c1-16-6-8-18(9-7-16)29(27,28)24-12-10-23(11-13-24)15-20(26)22-21-14-17-4-2-3-5-19(17)25/h2-9,14,25H,10-13,15H2,1H3,(H,22,26)/b21-14+