5-[3-[2-(3,5-dimethylphenoxy)ethyl-methylsulfonyl-amino]propyl]thiophene-2-carboxylic acid

Systemtic Name: 5-[3-[2-(3,5-dimethylphenoxy)ethyl-methylsulfonyl-amino]propyl]thiophene-2-carboxylic acid Openeye Name: 5-[3-[2-(3,5-dimethylphenoxy)ethyl-methylsulfonyl-amino]propyl]thiophene-2-carboxylic acid CAS Name: 5-[3-[2-(3,5-dimethylphenoxy)ethyl-methylsulfonylamino]propyl]-2-thiophenecarboxylic acid IUPAC Name: 5-[3-[2-(3,5-dimethylphenoxy)ethyl-methylsulfonylamino]propyl]thiophene-2-carboxylic acid Traditional Name: 5-[3-[2-(3,5-dimethylphenoxy)ethyl-mesyl-amino]propyl]-2-thenoic acid Formula: C19H25NO5S2 MolecularWeight: 411.5355

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCCN(CCCC2=CC=C(S2)C(=O)O)S(=O)(=O)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCCN(CCCC2=CC=C(S2)C(=O)O)S(=O)(=O)C)C

InChI

InChI=1S/C19H25NO5S2/c1-14-11-15(2)13-16(12-14)25-10-9-20(27(3,23)24)8-4-5-17-6-7-18(26-17)19(21)22/h6-7,11-13H,4-5,8-10H2,1-3H3,(H,21,22)