5-[bis(methylsulfonyl)amino]-2,3-dihydro-1-benzofuran-2-carboxylic acid

Systemtic Name: 5-[bis(methylsulfonyl)amino]-2,3-dihydro-1-benzofuran-2-carboxylic acid Openeye Name: 5-[bis(methylsulfonyl)amino]-2,3-dihydrobenzofuran-2-carboxylic acid CAS Name: 5-[bis(methylsulfonyl)amino]-2,3-dihydrobenzofuran-2-carboxylic acid IUPAC Name: 5-[bis(methylsulfonyl)amino]-2,3-dihydro-1-benzofuran-2-carboxylic acid Traditional Name: 5-(dimesylamino)coumaran-2-carboxylic acid Formula: C11H13NO7S2 MolecularWeight: 335.35342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(C1=CC2=C(C=C1)OC(C2)C(=O)O)S(=O)(=O)C

Isomeric SMILES

CS(=O)(=O)N(C1=CC2=C(C=C1)OC(C2)C(=O)O)S(=O)(=O)C

InChI

InChI=1S/C11H13NO7S2/c1-20(15,16)12(21(2,17)18)8-3-4-9-7(5-8)6-10(19-9)11(13)14/h3-5,10H,6H2,1-2H3,(H,13,14)