2-azanyl-2-(3,5-dimethylphenoxy)-3-ethyl-3-methylsulfonyl-heptanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)(C(C(=O)O)(N)OC1=CC(=CC(=C1)C)C)S(=O)(=O)C

Isomeric SMILES

CCCCC(CC)(C(C(=O)O)(N)OC1=CC(=CC(=C1)C)C)S(=O)(=O)C

InChI

InChI=1S/C18H29NO5S/c1-6-8-9-17(7-2,25(5,22)23)18(19,16(20)21)24-15-11-13(3)10-14(4)12-15/h10-12H,6-9,19H2,1-5H3,(H,20,21)