5-[3-[2-(3-chloranyl-5-methoxy-phenoxy)ethyl-methylsulfonyl-amino]propyl]thiophene-2-carboxylic acid

Systemtic Name: 5-[3-[2-(3-chloranyl-5-methoxy-phenoxy)ethyl-methylsulfonyl-amino]propyl]thiophene-2-carboxylic acid Openeye Name: 5-[3-[2-(3-chloro-5-methoxy-phenoxy)ethyl-methylsulfonyl-amino]propyl]thiophene-2-carboxylic acid CAS Name: 5-[3-[2-(3-chloro-5-methoxyphenoxy)ethyl-methylsulfonylamino]propyl]-2-thiophenecarboxylic acid IUPAC Name: 5-[3-[2-(3-chloro-5-methoxyphenoxy)ethyl-methylsulfonylamino]propyl]thiophene-2-carboxylic acid Traditional Name: 5-[3-[2-(3-chloro-5-methoxy-phenoxy)ethyl-mesyl-amino]propyl]-2-thenoic acid Formula: C18H22ClNO6S2 MolecularWeight: 447.95338

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)Cl)OCCN(CCCC2=CC=C(S2)C(=O)O)S(=O)(=O)C

Isomeric SMILES

COC1=CC(=CC(=C1)Cl)OCCN(CCCC2=CC=C(S2)C(=O)O)S(=O)(=O)C

InChI

InChI=1S/C18H22ClNO6S2/c1-25-14-10-13(19)11-15(12-14)26-9-8-20(28(2,23)24)7-3-4-16-5-6-17(27-16)18(21)22/h5-6,10-12H,3-4,7-9H2,1-2H3,(H,21,22)