5-[1-azanyl-6-[3,5-bis(chloranyl)phenoxy]-1-methylsulfonyl-hexyl]thiophene-2-carboxylic acid

Systemtic Name: 5-[1-azanyl-6-[3,5-bis(chloranyl)phenoxy]-1-methylsulfonyl-hexyl]thiophene-2-carboxylic acid Openeye Name: 5-[1-amino-6-(3,5-dichlorophenoxy)-1-methylsulfonyl-hexyl]thiophene-2-carboxylic acid CAS Name: 5-[1-amino-6-(3,5-dichlorophenoxy)-1-methylsulfonylhexyl]-2-thiophenecarboxylic acid IUPAC Name: 5-[1-amino-6-(3,5-dichlorophenoxy)-1-methylsulfonylhexyl]thiophene-2-carboxylic acid Traditional Name: 5-[1-amino-6-(3,5-dichlorophenoxy)-1-mesyl-hexyl]-2-thenoic acid Formula: C18H21Cl2NO5S2 MolecularWeight: 466.39904

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C(CCCCCOC1=CC(=CC(=C1)Cl)Cl)(C2=CC=C(S2)C(=O)O)N

Isomeric SMILES

CS(=O)(=O)C(CCCCCOC1=CC(=CC(=C1)Cl)Cl)(C2=CC=C(S2)C(=O)O)N

InChI

InChI=1S/C18H21Cl2NO5S2/c1-28(24,25)18(21,16-6-5-15(27-16)17(22)23)7-3-2-4-8-26-14-10-12(19)9-13(20)11-14/h5-6,9-11H,2-4,7-8,21H2,1H3,(H,22,23)