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

Systemtic Name: N'-[(3-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanehydrazide Openeye Name: N'-[(3-methoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]-2-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]acetohydrazide CAS Name: N'-[(3-methoxy-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-2-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]acetohydrazide IUPAC Name: N'-[(3-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]acetohydrazide Traditional Name: N'-[(4-keto-3-methoxy-cyclohexa-2,5-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(=O)C(=C3)OC

Isomeric SMILES

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

InChI

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