(2,3-dimethoxyphenyl) 7-(4-methylpiperazin-1-yl)-1-benzofuran-5-sulfonate

Systemtic Name: (2,3-dimethoxyphenyl) 7-(4-methylpiperazin-1-yl)-1-benzofuran-5-sulfonate Openeye Name: (2,3-dimethoxyphenyl) 7-(4-methylpiperazin-1-yl)benzofuran-5-sulfonate CAS Name: 7-(4-methyl-1-piperazinyl)-5-benzofuransulfonic acid (2,3-dimethoxyphenyl) ester IUPAC Name: (2,3-dimethoxyphenyl) 7-(4-methylpiperazin-1-yl)-1-benzofuran-5-sulfonate Traditional Name: 7-(4-methylpiperazino)benzofuran-5-sulfonic acid (2,3-dimethoxyphenyl) ester Formula: C21H24N2O6S MolecularWeight: 432.49006

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C3C(=CC(=C2)S(=O)(=O)OC4=CC=CC(=C4OC)OC)C=CO3

Isomeric SMILES

CN1CCN(CC1)C2=C3C(=CC(=C2)S(=O)(=O)OC4=CC=CC(=C4OC)OC)C=CO3

InChI

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