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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)OCCN(CCCC2=CC=C(S2)C(=O)O)S(=O)(=O)C

Isomeric SMILES

CCC1=CC(=CC=C1)OCCN(CCCC2=CC=C(S2)C(=O)O)S(=O)(=O)C

InChI

InChI=1S/C19H25NO5S2/c1-3-15-6-4-7-16(14-15)25-13-12-20(27(2,23)24)11-5-8-17-9-10-18(26-17)19(21)22/h4,6-7,9-10,14H,3,5,8,11-13H2,1-2H3,(H,21,22)