N-[4-methyl-2-(3-methylsulfanylpiperazin-1-yl)phenyl]sulfamoyl iodide

Systemtic Name: N-[4-methyl-2-(3-methylsulfanylpiperazin-1-yl)phenyl]sulfamoyl iodide Openeye Name: N-[4-methyl-2-(3-methylsulfanylpiperazin-1-yl)phenyl]sulfamoyl iodide CAS Name: N-[4-methyl-2-[3-(methylthio)-1-piperazinyl]phenyl]sulfamoyl iodide IUPAC Name: N-[4-methyl-2-(3-methylsulfanylpiperazin-1-yl)phenyl]sulfamoyl iodide Traditional Name: N-[4-methyl-2-[3-(methylthio)piperazino]phenyl]sulfamoyl iodide Formula: C12H18IN3O2S2 MolecularWeight: 427.32469

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NS(=O)(=O)I)N2CCNC(C2)SC

Isomeric SMILES

CC1=CC(=C(C=C1)NS(=O)(=O)I)N2CCNC(C2)SC

InChI

InChI=1S/C12H18IN3O2S2/c1-9-3-4-10(15-20(13,17)18)11(7-9)16-6-5-14-12(8-16)19-2/h3-4,7,12,14-15H,5-6,8H2,1-2H3