3-[3-[1-benzofuran-2-ylmethyl(methylsulfonyl)amino]propyl]thiophene-2-carboxylic acid

Systemtic Name: 3-[3-[1-benzofuran-2-ylmethyl(methylsulfonyl)amino]propyl]thiophene-2-carboxylic acid Openeye Name: 3-[3-[benzofuran-2-ylmethyl(methylsulfonyl)amino]propyl]thiophene-2-carboxylic acid CAS Name: 3-[3-[2-benzofuranylmethyl(methylsulfonyl)amino]propyl]-2-thiophenecarboxylic acid IUPAC Name: 3-[3-[1-benzofuran-2-ylmethyl(methylsulfonyl)amino]propyl]thiophene-2-carboxylic acid Traditional Name: 3-[3-[benzofuran-2-ylmethyl(mesyl)amino]propyl]-2-thenoic acid Formula: C18H19NO5S2 MolecularWeight: 393.47716

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CCCC1=C(SC=C1)C(=O)O)CC2=CC3=CC=CC=C3O2

Isomeric SMILES

CS(=O)(=O)N(CCCC1=C(SC=C1)C(=O)O)CC2=CC3=CC=CC=C3O2

InChI

InChI=1S/C18H19NO5S2/c1-26(22,23)19(9-4-6-13-8-10-25-17(13)18(20)21)12-15-11-14-5-2-3-7-16(14)24-15/h2-3,5,7-8,10-11H,4,6,9,12H2,1H3,(H,20,21)