7-[2-(3,5-dimethylphenoxy)ethyl-methylsulfonyl-amino]heptanoic acid

Systemtic Name: 7-[2-(3,5-dimethylphenoxy)ethyl-methylsulfonyl-amino]heptanoic acid Openeye Name: 7-[2-(3,5-dimethylphenoxy)ethyl-methylsulfonyl-amino]heptanoic acid CAS Name: 7-[2-(3,5-dimethylphenoxy)ethyl-methylsulfonylamino]heptanoic acid IUPAC Name: 7-[2-(3,5-dimethylphenoxy)ethyl-methylsulfonylamino]heptanoic acid Traditional Name: 7-[2-(3,5-dimethylphenoxy)ethyl-mesyl-amino]enanthic acid Formula: C18H29NO5S MolecularWeight: 371.49156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCCN(CCCCCCC(=O)O)S(=O)(=O)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCCN(CCCCCCC(=O)O)S(=O)(=O)C)C

InChI

InChI=1S/C18H29NO5S/c1-15-12-16(2)14-17(13-15)24-11-10-19(25(3,22)23)9-7-5-4-6-8-18(20)21/h12-14H,4-11H2,1-3H3,(H,20,21)