(3,5-dimethoxyphenyl) 7-(4-methylpiperazin-1-yl)-1-benzofuran-5-sulfonate

Systemtic Name: (3,5-dimethoxyphenyl) 7-(4-methylpiperazin-1-yl)-1-benzofuran-5-sulfonate Openeye Name: (3,5-dimethoxyphenyl) 7-(4-methylpiperazin-1-yl)benzofuran-5-sulfonate CAS Name: 7-(4-methyl-1-piperazinyl)-5-benzofuransulfonic acid (3,5-dimethoxyphenyl) ester IUPAC Name: (3,5-dimethoxyphenyl) 7-(4-methylpiperazin-1-yl)-1-benzofuran-5-sulfonate Traditional Name: 7-(4-methylpiperazino)benzofuran-5-sulfonic acid (3,5-dimethoxyphenyl) ester Formula: C21H24N2O6S MolecularWeight: 432.49006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C3C(=CC(=C2)S(=O)(=O)OC4=CC(=CC(=C4)OC)OC)C=CO3

Isomeric SMILES

CN1CCN(CC1)C2=C3C(=CC(=C2)S(=O)(=O)OC4=CC(=CC(=C4)OC)OC)C=CO3

InChI

InChI=1S/C21H24N2O6S/c1-22-5-7-23(8-6-22)20-14-19(10-15-4-9-28-21(15)20)30(24,25)29-18-12-16(26-2)11-17(13-18)27-3/h4,9-14H,5-8H2,1-3H3