N'-[(5-methoxy-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanehydrazide

Systemtic Name: N'-[(5-methoxy-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanehydrazide Openeye Name: N'-[(5-methoxy-6-oxo-cyclohexa-2,4-dien-1-ylidene)methyl]-2-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]acetohydrazide CAS Name: N'-[(5-methoxy-6-oxo-1-cyclohexa-2,4-dienylidene)methyl]-2-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]acetohydrazide IUPAC Name: N'-[(5-methoxy-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]acetohydrazide Traditional Name: N'-[(6-keto-5-methoxy-cyclohexa-2,4-dien-1-ylidene)methyl]-2-(4-tosylpiperazin-1-ium-1-yl)acetohydrazide Formula: C21H27N4O5S+ MolecularWeight: 447.52788

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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=C(C3=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O5S/c1-16-6-8-18(9-7-16)31(28,29)25-12-10-24(11-13-25)15-20(26)23-22-14-17-4-3-5-19(30-2)21(17)27/h3-9,14,22H,10-13,15H2,1-2H3,(H,23,26)/p+1