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

Systemtic Name: 5-[3-[3-(3-methoxyphenyl)propyl-methylsulfonyl-amino]propyl]thiophene-2-carboxylic acid Openeye Name: 5-[3-[3-(3-methoxyphenyl)propyl-methylsulfonyl-amino]propyl]thiophene-2-carboxylic acid CAS Name: 5-[3-[3-(3-methoxyphenyl)propyl-methylsulfonylamino]propyl]-2-thiophenecarboxylic acid IUPAC Name: 5-[3-[3-(3-methoxyphenyl)propyl-methylsulfonylamino]propyl]thiophene-2-carboxylic acid Traditional Name: 5-[3-[mesyl-[3-(3-methoxyphenyl)propyl]amino]propyl]-2-thenoic acid Formula: C19H25NO5S2 MolecularWeight: 411.5355

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25NO5S2/c1-25-16-8-3-6-15(14-16)7-4-12-20(27(2,23)24)13-5-9-17-10-11-18(26-17)19(21)22/h3,6,8,10-11,14H,4-5,7,9,12-13H2,1-2H3,(H,21,22)