N-[(2S)-3-[[(2R)-3-(4-bromanylphenoxy)-2-oxidanyl-propyl]-methyl-azaniumyl]-2-oxidanyl-propyl]sulfamate

Systemtic Name: N-[(2S)-3-[[(2R)-3-(4-bromanylphenoxy)-2-oxidanyl-propyl]-methyl-azaniumyl]-2-oxidanyl-propyl]sulfamate Openeye Name: N-[(2S)-3-[[(2R)-3-(4-bromophenoxy)-2-hydroxy-propyl]-methyl-ammonio]-2-hydroxy-propyl]sulfamate CAS Name: N-[(2S)-3-[[(2R)-3-(4-bromophenoxy)-2-hydroxypropyl]-methylammonio]-2-hydroxypropyl]sulfamate IUPAC Name: N-[(2S)-3-[[(2R)-3-(4-bromophenoxy)-2-hydroxypropyl]-methylazaniumyl]-2-hydroxypropyl]sulfamate Traditional Name: N-[(2S)-3-[[(2R)-3-(4-bromophenoxy)-2-hydroxy-propyl]-methyl-ammonio]-2-hydroxy-propyl]sulfamate Formula: C13H21BrN2O6S MolecularWeight: 413.28464

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC(CNS(=O)(=O)[O-])O)CC(COC1=CC=C(C=C1)Br)O

Isomeric SMILES

C[NH+](C[C@@H](CNS(=O)(=O)[O-])O)C[C@H](COC1=CC=C(C=C1)Br)O

InChI

InChI=1S/C13H21BrN2O6S/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)/t11-,12-/m1/s1