N'-[(2S)-2-(2-fluoranylphenoxy)propanoyl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzohydrazide

Systemtic Name: N'-[(2S)-2-(2-fluoranylphenoxy)propanoyl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzohydrazide Openeye Name: N'-[(2S)-2-(2-fluorophenoxy)propanoyl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzohydrazide CAS Name: N'-[(2S)-2-(2-fluorophenoxy)-1-oxopropyl]-3-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]benzohydrazide IUPAC Name: N'-[(2S)-2-(2-fluorophenoxy)propanoyl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzohydrazide Traditional Name: N'-[(2S)-2-(2-fluorophenoxy)propanoyl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzohydrazide Formula: C21H26FN4O5S+ MolecularWeight: 465.518343

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NNC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CC[NH+](CC2)C)OC3=CC=CC=C3F

Isomeric SMILES

C[C@@H](C(=O)NNC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CC[NH+](CC2)C)OC3=CC=CC=C3F

InChI

InChI=1S/C21H25FN4O5S/c1-15(31-19-9-4-3-8-18(19)22)20(27)23-24-21(28)16-6-5-7-17(14-16)32(29,30)26-12-10-25(2)11-13-26/h3-9,14-15H,10-13H2,1-2H3,(H,23,27)(H,24,28)/p+1/t15-/m0/s1