N3-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)benzene-1,3-disulfonamide

Systemtic Name: N3-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)benzene-1,3-disulfonamide Openeye Name: N3-(5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl)benzene-1,3-disulfonamide CAS Name: N3-(5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl)benzene-1,3-disulfonamide IUPAC Name: 3-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)benzene-1,3-disulfonamide Traditional Name: N'-(5-ethoxy-2-methyl-coumaran-6-yl)benzene-1,3-disulfonamide Formula: C17H20N2O6S2 MolecularWeight: 412.4805

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CC(O2)C)NS(=O)(=O)C3=CC=CC(=C3)S(=O)(=O)N

Isomeric SMILES

CCOC1=C(C=C2C(=C1)CC(O2)C)NS(=O)(=O)C3=CC=CC(=C3)S(=O)(=O)N

InChI

InChI=1S/C17H20N2O6S2/c1-3-24-17-8-12-7-11(2)25-16(12)10-15(17)19-27(22,23)14-6-4-5-13(9-14)26(18,20)21/h4-6,8-11,19H,3,7H2,1-2H3,(H2,18,20,21)