ethyl 7-[[5-(1,3-benzodioxol-5-yloxy)-4-oxidanyl-pentyl]-methylsulfonyl-amino]heptanoate

Systemtic Name: ethyl 7-[[5-(1,3-benzodioxol-5-yloxy)-4-oxidanyl-pentyl]-methylsulfonyl-amino]heptanoate Openeye Name: ethyl 7-[[5-(1,3-benzodioxol-5-yloxy)-4-hydroxy-pentyl]-methylsulfonyl-amino]heptanoate CAS Name: 7-[[5-(1,3-benzodioxol-5-yloxy)-4-hydroxypentyl]-methylsulfonylamino]heptanoic acid ethyl ester IUPAC Name: ethyl 7-[[5-(1,3-benzodioxol-5-yloxy)-4-hydroxypentyl]-methylsulfonylamino]heptanoate Traditional Name: 7-[[5-(1,3-benzodioxol-5-yloxy)-4-hydroxy-pentyl]-mesyl-amino]enanthic acid ethyl ester Formula: C22H35NO8S MolecularWeight: 473.5802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCCCN(CCCC(COC1=CC2=C(C=C1)OCO2)O)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)CCCCCCN(CCCC(COC1=CC2=C(C=C1)OCO2)O)S(=O)(=O)C

InChI

InChI=1S/C22H35NO8S/c1-3-28-22(25)10-6-4-5-7-13-23(32(2,26)27)14-8-9-18(24)16-29-19-11-12-20-21(15-19)31-17-30-20/h11-12,15,18,24H,3-10,13-14,16-17H2,1-2H3