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

Systemtic Name: 5-[3-[2-(3-methoxyphenoxy)ethyl-methylsulfonyl-amino]propyl]thiophene-2-carboxylic acid Openeye Name: 5-[3-[2-(3-methoxyphenoxy)ethyl-methylsulfonyl-amino]propyl]thiophene-2-carboxylic acid CAS Name: 5-[3-[2-(3-methoxyphenoxy)ethyl-methylsulfonylamino]propyl]-2-thiophenecarboxylic acid IUPAC Name: 5-[3-[2-(3-methoxyphenoxy)ethyl-methylsulfonylamino]propyl]thiophene-2-carboxylic acid Traditional Name: 5-[3-[mesyl-[2-(3-methoxyphenoxy)ethyl]amino]propyl]-2-thenoic acid Formula: C18H23NO6S2 MolecularWeight: 413.50832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23NO6S2/c1-24-14-5-3-6-15(13-14)25-12-11-19(27(2,22)23)10-4-7-16-8-9-17(26-16)18(20)21/h3,5-6,8-9,13H,4,7,10-12H2,1-2H3,(H,20,21)