7-[methylsulfonyl-[[5-(1-oxidanylhexyl)thiophen-2-yl]methyl]amino]heptanoic acid

Systemtic Name: 7-[methylsulfonyl-[[5-(1-oxidanylhexyl)thiophen-2-yl]methyl]amino]heptanoic acid Openeye Name: 7-[[5-(1-hydroxyhexyl)-2-thienyl]methyl-methylsulfonyl-amino]heptanoic acid CAS Name: 7-[[5-(1-hydroxyhexyl)-2-thiophenyl]methyl-methylsulfonylamino]heptanoic acid IUPAC Name: 7-[[5-(1-hydroxyhexyl)thiophen-2-yl]methyl-methylsulfonylamino]heptanoic acid Traditional Name: 7-[[5-(1-hydroxyhexyl)-2-thienyl]methyl-mesyl-amino]enanthic acid Formula: C19H33NO5S2 MolecularWeight: 419.59902

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C1=CC=C(S1)CN(CCCCCCC(=O)O)S(=O)(=O)C)O

Isomeric SMILES

CCCCCC(C1=CC=C(S1)CN(CCCCCCC(=O)O)S(=O)(=O)C)O

InChI

InChI=1S/C19H33NO5S2/c1-3-4-7-10-17(21)18-13-12-16(26-18)15-20(27(2,24)25)14-9-6-5-8-11-19(22)23/h12-13,17,21H,3-11,14-15H2,1-2H3,(H,22,23)