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

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

Systemtic Name:5-[3-[methylsulfonyl-[2-(3-propan-2-ylphenoxy)ethyl]amino]propyl]thiophene-2-carboxylic acid
Openeye Name:5-[3-[2-(3-isopropylphenoxy)ethyl-methylsulfonyl-amino]propyl]thiophene-2-carboxylic acid
CAS Name:5-[3-[methylsulfonyl-[2-(3-propan-2-ylphenoxy)ethyl]amino]propyl]-2-thiophenecarboxylic acid
IUPAC Name:5-[3-[methylsulfonyl-[2-(3-propan-2-ylphenoxy)ethyl]amino]propyl]thiophene-2-carboxylic acid
Traditional Name:5-[3-[2-(3-isopropylphenoxy)ethyl-mesyl-amino]propyl]-2-thenoic acid
Formula: C20H27NO5S2
MolecularWeight: 425.56208
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C20H27NO5S2/c1-15(2)16-6-4-7-17(14-16)26-13-12-21(28(3,24)25)11-5-8-18-9-10-19(27-18)20(22)23/h4,6-7,9-10,14-15H,5,8,11-13H2,1-3H3,(H,22,23)


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