N'-[2-(4-chloranylphenoxy)ethanoyl]-2-(4-methylsulfonyl-1,4-diazepan-1-ium-1-yl)ethanehydrazide

Systemtic Name: N'-[2-(4-chloranylphenoxy)ethanoyl]-2-(4-methylsulfonyl-1,4-diazepan-1-ium-1-yl)ethanehydrazide Openeye Name: N'-[2-(4-chlorophenoxy)acetyl]-2-(4-methylsulfonyl-1,4-diazepan-1-ium-1-yl)acetohydrazide CAS Name: N'-[2-(4-chlorophenoxy)-1-oxoethyl]-2-(4-methylsulfonyl-1,4-diazepan-1-ium-1-yl)acetohydrazide IUPAC Name: N'-[2-(4-chlorophenoxy)acetyl]-2-(4-methylsulfonyl-1,4-diazepan-1-ium-1-yl)acetohydrazide Traditional Name: N'-[2-(4-chlorophenoxy)acetyl]-2-(4-mesyl-1,4-diazepan-1-ium-1-yl)acetohydrazide Formula: C16H24ClN4O5S+ MolecularWeight: 419.90356

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC[NH+](CC1)CC(=O)NNC(=O)COC2=CC=C(C=C2)Cl

Isomeric SMILES

CS(=O)(=O)N1CCC[NH+](CC1)CC(=O)NNC(=O)COC2=CC=C(C=C2)Cl

InChI

InChI=1S/C16H23ClN4O5S/c1-27(24,25)21-8-2-7-20(9-10-21)11-15(22)18-19-16(23)12-26-14-5-3-13(17)4-6-14/h3-6H,2,7-12H2,1H3,(H,18,22)(H,19,23)/p+1