sodium N-[2-methyl-4-(1-oxidanylpentan-3-yl)phenyl]sulfamate

Systemtic Name: sodium N-[2-methyl-4-(1-oxidanylpentan-3-yl)phenyl]sulfamate Openeye Name: sodium N-[4-(1-ethyl-3-hydroxy-propyl)-2-methyl-phenyl]sulfamate CAS Name: sodium N-[4-(1-hydroxypentan-3-yl)-2-methylphenyl]sulfamate IUPAC Name: sodium N-[4-(1-hydroxypentan-3-yl)-2-methylphenyl]sulfamate Traditional Name: sodium N-[4-(1-ethyl-3-hydroxy-propyl)-2-methyl-phenyl]sulfamate Formula: C12H18NNaO4S MolecularWeight: 295.33039

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CCO)C1=CC(=C(C=C1)NS(=O)(=O)[O-])C.[Na+]

Isomeric SMILES

CCC(CCO)C1=CC(=C(C=C1)NS(=O)(=O)[O-])C.[Na+]

InChI

InChI=1S/C12H19NO4S.Na/c1-3-10(6-7-14)11-4-5-12(9(2)8-11)13-18(15,16)17;/h4-5,8,10,13-14H,3,6-7H2,1-2H3,(H,15,16,17);/q;+1/p-1