5-[2-[(4-methylsulfonylphenyl)sulfonylamino]ethyl]-1-benzofuran-2-carboxylic acid

Systemtic Name: 5-[2-[(4-methylsulfonylphenyl)sulfonylamino]ethyl]-1-benzofuran-2-carboxylic acid Openeye Name: 5-[2-[(4-methylsulfonylphenyl)sulfonylamino]ethyl]benzofuran-2-carboxylic acid CAS Name: 5-[2-[(4-methylsulfonylphenyl)sulfonylamino]ethyl]-2-benzofurancarboxylic acid IUPAC Name: 5-[2-[(4-methylsulfonylphenyl)sulfonylamino]ethyl]-1-benzofuran-2-carboxylic acid Traditional Name: 5-[2-[(4-mesylphenyl)sulfonylamino]ethyl]coumarilic acid Formula: C18H17NO7S2 MolecularWeight: 423.46008

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)NCCC2=CC3=C(C=C2)OC(=C3)C(=O)O

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)NCCC2=CC3=C(C=C2)OC(=C3)C(=O)O

InChI

InChI=1S/C18H17NO7S2/c1-27(22,23)14-3-5-15(6-4-14)28(24,25)19-9-8-12-2-7-16-13(10-12)11-17(26-16)18(20)21/h2-7,10-11,19H,8-9H2,1H3,(H,20,21)