(E)-7-[[5-(3-bromanylphenoxy)-4-oxidanyl-pentyl]-methylsulfonyl-amino]hept-5-enoic acid

Systemtic Name: (E)-7-[[5-(3-bromanylphenoxy)-4-oxidanyl-pentyl]-methylsulfonyl-amino]hept-5-enoic acid Openeye Name: (E)-7-[[5-(3-bromophenoxy)-4-hydroxy-pentyl]-methylsulfonyl-amino]hept-5-enoic acid CAS Name: (E)-7-[[5-(3-bromophenoxy)-4-hydroxypentyl]-methylsulfonylamino]-5-heptenoic acid IUPAC Name: (E)-7-[[5-(3-bromophenoxy)-4-hydroxypentyl]-methylsulfonylamino]hept-5-enoic acid Traditional Name: (E)-7-[[5-(3-bromophenoxy)-4-hydroxy-pentyl]-mesyl-amino]hept-5-enoic acid Formula: C19H28BrNO6S MolecularWeight: 478.39772

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CCCC(COC1=CC(=CC=C1)Br)O)CC=CCCCC(=O)O

Isomeric SMILES

CS(=O)(=O)N(CCCC(COC1=CC(=CC=C1)Br)O)C/C=C/CCCC(=O)O

InChI

InChI=1S/C19H28BrNO6S/c1-28(25,26)21(12-5-3-2-4-11-19(23)24)13-7-9-17(22)15-27-18-10-6-8-16(20)14-18/h3,5-6,8,10,14,17,22H,2,4,7,9,11-13,15H2,1H3,(H,23,24)/b5-3+