7-[[5-(furan-2-ylmethoxy)-4-oxidanyl-pentyl]-methylsulfonyl-amino]heptanoic acid

Systemtic Name: 7-[[5-(furan-2-ylmethoxy)-4-oxidanyl-pentyl]-methylsulfonyl-amino]heptanoic acid Openeye Name: 7-[[5-(2-furylmethoxy)-4-hydroxy-pentyl]-methylsulfonyl-amino]heptanoic acid CAS Name: 7-[[5-(2-furanylmethoxy)-4-hydroxypentyl]-methylsulfonylamino]heptanoic acid IUPAC Name: 7-[[5-(furan-2-ylmethoxy)-4-hydroxypentyl]-methylsulfonylamino]heptanoic acid Traditional Name: 7-[[5-(2-furfuryloxy)-4-hydroxy-pentyl]-mesyl-amino]enanthic acid Formula: C18H31NO7S MolecularWeight: 405.50624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CCCCCCC(=O)O)CCCC(COCC1=CC=CO1)O

Isomeric SMILES

CS(=O)(=O)N(CCCCCCC(=O)O)CCCC(COCC1=CC=CO1)O

InChI

InChI=1S/C18H31NO7S/c1-27(23,24)19(11-5-3-2-4-10-18(21)22)12-6-8-16(20)14-25-15-17-9-7-13-26-17/h7,9,13,16,20H,2-6,8,10-12,14-15H2,1H3,(H,21,22)