4-chloranyl-N'-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanoyl]benzohydrazide

Systemtic Name: 4-chloranyl-N'-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanoyl]benzohydrazide Openeye Name: 4-chloro-N'-[2-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]acetyl]benzohydrazide CAS Name: 4-chloro-N'-[2-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]-1-oxoethyl]benzohydrazide IUPAC Name: 4-chloro-N'-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]benzohydrazide Traditional Name: 4-chloro-N'-[2-(4-tosylpiperazin-1-ium-1-yl)acetyl]benzohydrazide Formula: C20H24ClN4O4S+ MolecularWeight: 451.94696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23ClN4O4S/c1-15-2-8-18(9-3-15)30(28,29)25-12-10-24(11-13-25)14-19(26)22-23-20(27)16-4-6-17(21)7-5-16/h2-9H,10-14H2,1H3,(H,22,26)(H,23,27)/p+1