2-[[(1S)-1-(5-bromanyl-2-oxidanyl-phenyl)propyl]azaniumyl]ethyl-methylsulfonyl-azanide

Systemtic Name: 2-[[(1S)-1-(5-bromanyl-2-oxidanyl-phenyl)propyl]azaniumyl]ethyl-methylsulfonyl-azanide Openeye Name: 2-[[(1S)-1-(5-bromo-2-hydroxy-phenyl)propyl]ammonio]ethyl-methylsulfonyl-azanide CAS Name: 2-[[(1S)-1-(5-bromo-2-hydroxyphenyl)propyl]ammonio]ethyl-methylsulfonylazanide IUPAC Name: 2-[[(1S)-1-(5-bromo-2-hydroxyphenyl)propyl]azaniumyl]ethyl-methylsulfonylazanide Traditional Name: 2-[[(1S)-1-(5-bromo-2-hydroxy-phenyl)propyl]ammonio]ethyl-mesyl-azanide Formula: C12H19BrN2O3S MolecularWeight: 351.25986

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=C(C=CC(=C1)Br)O)[NH2+]CC[N-]S(=O)(=O)C

Isomeric SMILES

CC[C@@H](C1=C(C=CC(=C1)Br)O)[NH2+]CC[N-]S(=O)(=O)C

InChI

InChI=1S/C12H18BrN2O3S/c1-3-11(14-6-7-15-19(2,17)18)10-8-9(13)4-5-12(10)16/h4-5,8,11,14,16H,3,6-7H2,1-2H3/q-1/p+1/t11-/m0/s1