7-[methylsulfonyl-[[4-(1-oxidanylpentyl)phenyl]methyl]amino]heptanoic acid

Systemtic Name: 7-[methylsulfonyl-[[4-(1-oxidanylpentyl)phenyl]methyl]amino]heptanoic acid Openeye Name: 7-[[4-(1-hydroxypentyl)phenyl]methyl-methylsulfonyl-amino]heptanoic acid CAS Name: 7-[[4-(1-hydroxypentyl)phenyl]methyl-methylsulfonylamino]heptanoic acid IUPAC Name: 7-[[4-(1-hydroxypentyl)phenyl]methyl-methylsulfonylamino]heptanoic acid Traditional Name: 7-[[4-(1-hydroxypentyl)benzyl]-mesyl-amino]enanthic acid Formula: C20H33NO5S MolecularWeight: 399.54472

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1=CC=C(C=C1)CN(CCCCCCC(=O)O)S(=O)(=O)C)O

Isomeric SMILES

CCCCC(C1=CC=C(C=C1)CN(CCCCCCC(=O)O)S(=O)(=O)C)O

InChI

InChI=1S/C20H33NO5S/c1-3-4-9-19(22)18-13-11-17(12-14-18)16-21(27(2,25)26)15-8-6-5-7-10-20(23)24/h11-14,19,22H,3-10,15-16H2,1-2H3,(H,23,24)