2-[(2-ethanoyl-7-heptoxy-1-benzofuran-4-yl)sulfonylamino]ethanoic acid

Systemtic Name: 2-[(2-ethanoyl-7-heptoxy-1-benzofuran-4-yl)sulfonylamino]ethanoic acid Openeye Name: 2-[(2-acetyl-7-heptoxy-benzofuran-4-yl)sulfonylamino]acetic acid CAS Name: 2-[(2-acetyl-7-heptoxy-4-benzofuranyl)sulfonylamino]acetic acid IUPAC Name: 2-[(2-acetyl-7-heptoxy-1-benzofuran-4-yl)sulfonylamino]acetic acid Traditional Name: 2-[(2-acetyl-7-heptoxy-benzofuran-4-yl)sulfonylamino]acetic acid Formula: C19H25NO7S MolecularWeight: 411.4693

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=C2C(=C(C=C1)S(=O)(=O)NCC(=O)O)C=C(O2)C(=O)C

Isomeric SMILES

CCCCCCCOC1=C2C(=C(C=C1)S(=O)(=O)NCC(=O)O)C=C(O2)C(=O)C

InChI

InChI=1S/C19H25NO7S/c1-3-4-5-6-7-10-26-15-8-9-17(28(24,25)20-12-18(22)23)14-11-16(13(2)21)27-19(14)15/h8-9,11,20H,3-7,10,12H2,1-2H3,(H,22,23)