5-(3-bromanylpyridin-2-yl)oxy-N-(2-oxidanylsulfonothioyloxyethyl)pentan-1-amine

Systemtic Name: 5-(3-bromanylpyridin-2-yl)oxy-N-(2-oxidanylsulfonothioyloxyethyl)pentan-1-amine Openeye Name: 5-[(3-bromo-2-pyridyl)oxy]-N-(2-hydroxysulfonothioyloxyethyl)pentan-1-amine CAS Name: 5-[(3-bromo-2-pyridinyl)oxy]-N-(2-hydroxysulfonothioyloxyethyl)-1-pentanamine IUPAC Name: 5-(3-bromopyridin-2-yl)oxy-N-(2-hydroxysulfonothioyloxyethyl)pentan-1-amine Traditional Name: 5-[(3-bromo-2-pyridyl)oxy]pentyl-(2-hydroxysulfonothioyloxyethyl)amine Formula: C12H19BrN2O4S2 MolecularWeight: 399.32426

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)OCCCCCNCCOS(=O)(=S)O)Br

Isomeric SMILES

C1=CC(=C(N=C1)OCCCCCNCCOS(=O)(=S)O)Br

InChI

InChI=1S/C12H19BrN2O4S2/c13-11-5-4-7-15-12(11)18-9-3-1-2-6-14-8-10-19-21(16,17)20/h4-5,7,14H,1-3,6,8-10H2,(H,16,17,20)