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

Systemtic Name: 2-methoxy-4-[(E)-C-methyl-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanoylamino]carbonimidoyl]phenolate Openeye Name: 2-methoxy-4-[(E)-C-methyl-N-[[2-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]acetyl]amino]carbonimidoyl]phenolate CAS Name: 2-methoxy-4-[(1E)-1-[[2-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]-1-oxoethyl]hydrazinylidene]ethyl]phenolate IUPAC Name: 2-methoxy-4-[(E)-C-methyl-N-[[2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]amino]carbonimidoyl]phenolate Traditional Name: 2-methoxy-4-[(E)-C-methyl-N-[[2-(4-tosylpiperazin-1-ium-1-yl)acetyl]amino]carbonimidoyl]phenolate Formula: C22H28N4O5S MolecularWeight: 460.54652

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4O5S/c1-16-4-7-19(8-5-16)32(29,30)26-12-10-25(11-13-26)15-22(28)24-23-17(2)18-6-9-20(27)21(14-18)31-3/h4-9,14,27H,10-13,15H2,1-3H3,(H,24,28)/b23-17+