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

Systemtic Name: 5-[2-[(4-methylsulfinylphenyl)sulfonylamino]ethyl]-1-benzofuran-2-carboxylic acid Openeye Name: 5-[2-[(4-methylsulfinylphenyl)sulfonylamino]ethyl]benzofuran-2-carboxylic acid CAS Name: 5-[2-[(4-methylsulfinylphenyl)sulfonylamino]ethyl]-2-benzofurancarboxylic acid IUPAC Name: 5-[2-[(4-methylsulfinylphenyl)sulfonylamino]ethyl]-1-benzofuran-2-carboxylic acid Traditional Name: 5-[2-[(4-methylsulfinylphenyl)sulfonylamino]ethyl]coumarilic acid Formula: C18H17NO6S2 MolecularWeight: 407.46068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17NO6S2/c1-26(22)14-3-5-15(6-4-14)27(23,24)19-9-8-12-2-7-16-13(10-12)11-17(25-16)18(20)21/h2-7,10-11,19H,8-9H2,1H3,(H,20,21)