potassium N-[3-[[3-(4-bromanylphenoxy)-2-oxidanyl-propyl]-methyl-amino]-2-oxidanyl-propyl]sulfamate

Systemtic Name: potassium N-[3-[[3-(4-bromanylphenoxy)-2-oxidanyl-propyl]-methyl-amino]-2-oxidanyl-propyl]sulfamate Openeye Name: potassium N-[3-[[3-(4-bromophenoxy)-2-hydroxy-propyl]-methyl-amino]-2-hydroxy-propyl]sulfamate CAS Name: potassium N-[3-[[3-(4-bromophenoxy)-2-hydroxypropyl]-methylamino]-2-hydroxypropyl]sulfamate IUPAC Name: potassium N-[3-[[3-(4-bromophenoxy)-2-hydroxypropyl]-methylamino]-2-hydroxypropyl]sulfamate Traditional Name: potassium N-[3-[[3-(4-bromophenoxy)-2-hydroxy-propyl]-methyl-amino]-2-hydroxy-propyl]sulfamate Formula: C13H20BrKN2O6S MolecularWeight: 451.375

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(CNS(=O)(=O)[O-])O)CC(COC1=CC=C(C=C1)Br)O.[K+]

Isomeric SMILES

CN(CC(CNS(=O)(=O)[O-])O)CC(COC1=CC=C(C=C1)Br)O.[K+]

InChI

InChI=1S/C13H21BrN2O6S.K/c1-16(7-11(17)6-15-23(19,20)21)8-12(18)9-22-13-4-2-10(14)3-5-13;/h2-5,11-12,15,17-18H,6-9H2,1H3,(H,19,20,21);/q;+1/p-1