2-[(E)-C-methyl-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanoylamino]carbonimidoyl]phenolate

Systemtic Name: 2-[(E)-C-methyl-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanoylamino]carbonimidoyl]phenolate Openeye Name: 2-[(E)-C-methyl-N-[[2-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]acetyl]amino]carbonimidoyl]phenolate CAS Name: 2-[(1E)-1-[[2-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]-1-oxoethyl]hydrazinylidene]ethyl]phenolate IUPAC Name: 2-[(E)-C-methyl-N-[[2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]amino]carbonimidoyl]phenolate Traditional Name: 2-[(E)-C-methyl-N-[[2-(4-tosylpiperazin-1-ium-1-yl)acetyl]amino]carbonimidoyl]phenolate Formula: C21H26N4O4S MolecularWeight: 430.52054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O4S/c1-16-7-9-18(10-8-16)30(28,29)25-13-11-24(12-14-25)15-21(27)23-22-17(2)19-5-3-4-6-20(19)26/h3-10,26H,11-15H2,1-2H3,(H,23,27)/b22-17+