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

Systemtic Name: 2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N'-[(6-oxidanylidene-5-prop-2-enyl-cyclohexa-2,4-dien-1-ylidene)methyl]ethanehydrazide Openeye Name: N'-[(5-allyl-6-oxo-cyclohexa-2,4-dien-1-ylidene)methyl]-2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]acetohydrazide CAS Name: 2-[4-(4-bromophenyl)sulfonyl-1-piperazin-1-iumyl]-N'-[(6-oxo-5-prop-2-enyl-1-cyclohexa-2,4-dienylidene)methyl]acetohydrazide IUPAC Name: 2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N'-[(6-oxo-5-prop-2-enylcyclohexa-2,4-dien-1-ylidene)methyl]acetohydrazide Traditional Name: N'-[(5-allyl-6-keto-cyclohexa-2,4-dien-1-ylidene)methyl]-2-(4-brosylpiperazin-1-ium-1-yl)acetohydrazide Formula: C22H26BrN4O4S+ MolecularWeight: 522.43524

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC1=CC=CC(=CNNC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Br)C1=O

Isomeric SMILES

C=CCC1=CC=CC(=CNNC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Br)C1=O

InChI

InChI=1S/C22H25BrN4O4S/c1-2-4-17-5-3-6-18(22(17)29)15-24-25-21(28)16-26-11-13-27(14-12-26)32(30,31)20-9-7-19(23)8-10-20/h2-3,5-10,15,24H,1,4,11-14,16H2,(H,25,28)/p+1