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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(SC(=C1)N(CCCC2=CC(=CC=C2)OC)S(=O)(=O)C)C(=O)O

Isomeric SMILES

CCCC1=C(SC(=C1)N(CCCC2=CC(=CC=C2)OC)S(=O)(=O)C)C(=O)O

InChI

InChI=1S/C19H25NO5S2/c1-4-7-15-13-17(26-18(15)19(21)22)20(27(3,23)24)11-6-9-14-8-5-10-16(12-14)25-2/h5,8,10,12-13H,4,6-7,9,11H2,1-3H3,(H,21,22)