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

Systemtic Name: (E)-7-[[5-(3-methylphenoxy)-4-oxidanyl-pentyl]-methylsulfonyl-amino]hept-5-enoic acid Openeye Name: (E)-7-[[4-hydroxy-5-(3-methylphenoxy)pentyl]-methylsulfonyl-amino]hept-5-enoic acid CAS Name: (E)-7-[[4-hydroxy-5-(3-methylphenoxy)pentyl]-methylsulfonylamino]-5-heptenoic acid IUPAC Name: (E)-7-[[4-hydroxy-5-(3-methylphenoxy)pentyl]-methylsulfonylamino]hept-5-enoic acid Traditional Name: (E)-7-[[4-hydroxy-5-(3-methylphenoxy)pentyl]-mesyl-amino]hept-5-enoic acid Formula: C20H31NO6S MolecularWeight: 413.52824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC(CCCN(CC=CCCCC(=O)O)S(=O)(=O)C)O

Isomeric SMILES

CC1=CC(=CC=C1)OCC(CCCN(C/C=C/CCCC(=O)O)S(=O)(=O)C)O

InChI

InChI=1S/C20H31NO6S/c1-17-9-7-11-19(15-17)27-16-18(22)10-8-14-21(28(2,25)26)13-6-4-3-5-12-20(23)24/h4,6-7,9,11,15,18,22H,3,5,8,10,12-14,16H2,1-2H3,(H,23,24)/b6-4+