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

Systemtic Name: 5-[3-[2-(3-chloranylphenoxy)ethyl-methylsulfonyl-amino]propyl]thiophene-2-carboxylic acid Openeye Name: 5-[3-[2-(3-chlorophenoxy)ethyl-methylsulfonyl-amino]propyl]thiophene-2-carboxylic acid CAS Name: 5-[3-[2-(3-chlorophenoxy)ethyl-methylsulfonylamino]propyl]-2-thiophenecarboxylic acid IUPAC Name: 5-[3-[2-(3-chlorophenoxy)ethyl-methylsulfonylamino]propyl]thiophene-2-carboxylic acid Traditional Name: 5-[3-[2-(3-chlorophenoxy)ethyl-mesyl-amino]propyl]-2-thenoic acid Formula: C17H20ClNO5S2 MolecularWeight: 417.9274

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CCCC1=CC=C(S1)C(=O)O)CCOC2=CC(=CC=C2)Cl

Isomeric SMILES

CS(=O)(=O)N(CCCC1=CC=C(S1)C(=O)O)CCOC2=CC(=CC=C2)Cl

InChI

InChI=1S/C17H20ClNO5S2/c1-26(22,23)19(10-11-24-14-5-2-4-13(18)12-14)9-3-6-15-7-8-16(25-15)17(20)21/h2,4-5,7-8,12H,3,6,9-11H2,1H3,(H,20,21)