(E)-7-[[5-(1,3-benzodioxol-5-yloxy)-4-oxidanyl-pentyl]-methylsulfonyl-amino]hept-5-enoic acid

Systemtic Name: (E)-7-[[5-(1,3-benzodioxol-5-yloxy)-4-oxidanyl-pentyl]-methylsulfonyl-amino]hept-5-enoic acid Openeye Name: (E)-7-[[5-(1,3-benzodioxol-5-yloxy)-4-hydroxy-pentyl]-methylsulfonyl-amino]hept-5-enoic acid CAS Name: (E)-7-[[5-(1,3-benzodioxol-5-yloxy)-4-hydroxypentyl]-methylsulfonylamino]-5-heptenoic acid IUPAC Name: (E)-7-[[5-(1,3-benzodioxol-5-yloxy)-4-hydroxypentyl]-methylsulfonylamino]hept-5-enoic acid Traditional Name: (E)-7-[[5-(1,3-benzodioxol-5-yloxy)-4-hydroxy-pentyl]-mesyl-amino]hept-5-enoic acid Formula: C20H29NO8S MolecularWeight: 443.51116

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CCCC(COC1=CC2=C(C=C1)OCO2)O)CC=CCCCC(=O)O

Isomeric SMILES

CS(=O)(=O)N(CCCC(COC1=CC2=C(C=C1)OCO2)O)C/C=C/CCCC(=O)O

InChI

InChI=1S/C20H29NO8S/c1-30(25,26)21(11-5-3-2-4-8-20(23)24)12-6-7-16(22)14-27-17-9-10-18-19(13-17)29-15-28-18/h3,5,9-10,13,16,22H,2,4,6-8,11-12,14-15H2,1H3,(H,23,24)/b5-3+