2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]-N'-[(3-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]ethanehydrazide

Systemtic Name: 2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]-N'-[(3-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]ethanehydrazide Openeye Name: N'-[(3-hydroxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]-2-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]acetohydrazide CAS Name: N'-[(3-hydroxy-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-2-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]acetohydrazide IUPAC Name: N'-[(3-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]acetohydrazide Traditional Name: N'-[(3-hydroxy-4-keto-cyclohexa-2,5-dien-1-ylidene)methyl]-2-(4-tosylpiperazin-1-ium-1-yl)acetohydrazide Formula: C20H25N4O5S+ MolecularWeight: 433.5013

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NNC=C3C=CC(=O)C(=C3)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NNC=C3C=CC(=O)C(=C3)O

InChI

InChI=1S/C20H24N4O5S/c1-15-2-5-17(6-3-15)30(28,29)24-10-8-23(9-11-24)14-20(27)22-21-13-16-4-7-18(25)19(26)12-16/h2-7,12-13,21,26H,8-11,14H2,1H3,(H,22,27)/p+1