7-[[4-(1-oxidanylhexyl)phenyl]methyl-propylsulfonyl-amino]heptanoic acid

Systemtic Name: 7-[[4-(1-oxidanylhexyl)phenyl]methyl-propylsulfonyl-amino]heptanoic acid Openeye Name: 7-[[4-(1-hydroxyhexyl)phenyl]methyl-propylsulfonyl-amino]heptanoic acid CAS Name: 7-[[4-(1-hydroxyhexyl)phenyl]methyl-propylsulfonylamino]heptanoic acid IUPAC Name: 7-[[4-(1-hydroxyhexyl)phenyl]methyl-propylsulfonylamino]heptanoic acid Traditional Name: 7-[[4-(1-hydroxyhexyl)benzyl]-propylsulfonyl-amino]enanthic acid Formula: C23H39NO5S MolecularWeight: 441.62446

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C1=CC=C(C=C1)CN(CCCCCCC(=O)O)S(=O)(=O)CCC)O

Isomeric SMILES

CCCCCC(C1=CC=C(C=C1)CN(CCCCCCC(=O)O)S(=O)(=O)CCC)O

InChI

InChI=1S/C23H39NO5S/c1-3-5-8-11-22(25)21-15-13-20(14-16-21)19-24(30(28,29)18-4-2)17-10-7-6-9-12-23(26)27/h13-16,22,25H,3-12,17-19H2,1-2H3,(H,26,27)