N-[4-ethyl-2-(3-methylsulfanylpiperazin-1-yl)phenyl]sulfamoyl bromide

Systemtic Name: N-[4-ethyl-2-(3-methylsulfanylpiperazin-1-yl)phenyl]sulfamoyl bromide Openeye Name: N-[4-ethyl-2-(3-methylsulfanylpiperazin-1-yl)phenyl]sulfamoyl bromide CAS Name: N-[4-ethyl-2-[3-(methylthio)-1-piperazinyl]phenyl]sulfamoyl bromide IUPAC Name: N-[4-ethyl-2-(3-methylsulfanylpiperazin-1-yl)phenyl]sulfamoyl bromide Traditional Name: N-[4-ethyl-2-[3-(methylthio)piperazino]phenyl]sulfamoyl bromide Formula: C13H20BrN3O2S2 MolecularWeight: 394.3508

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)NS(=O)(=O)Br)N2CCNC(C2)SC

Isomeric SMILES

CCC1=CC(=C(C=C1)NS(=O)(=O)Br)N2CCNC(C2)SC

InChI

InChI=1S/C13H20BrN3O2S2/c1-3-10-4-5-11(16-21(14,18)19)12(8-10)17-7-6-15-13(9-17)20-2/h4-5,8,13,15-16H,3,6-7,9H2,1-2H3