N'-pentanoyl-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]sulfonyl-benzohydrazide

Systemtic Name: N'-pentanoyl-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]sulfonyl-benzohydrazide Openeye Name: 4-(4-benzylpiperazin-4-ium-1-yl)sulfonyl-N'-pentanoyl-benzohydrazide CAS Name: N'-(1-oxopentyl)-4-[[4-(phenylmethyl)-1-piperazin-4-iumyl]sulfonyl]benzohydrazide IUPAC Name: 4-(4-benzylpiperazin-4-ium-1-yl)sulfonyl-N'-pentanoylbenzohydrazide Traditional Name: 4-(4-benzylpiperazin-4-ium-1-yl)sulfonyl-N'-valeryl-benzohydrazide Formula: C23H31N4O4S+ MolecularWeight: 459.58164

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NNC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CCCCC(=O)NNC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C23H30N4O4S/c1-2-3-9-22(28)24-25-23(29)20-10-12-21(13-11-20)32(30,31)27-16-14-26(15-17-27)18-19-7-5-4-6-8-19/h4-8,10-13H,2-3,9,14-18H2,1H3,(H,24,28)(H,25,29)/p+1