(3,5-dimethoxyphenyl) 7-[(3R)-3-methylpiperazin-1-yl]-1-benzofuran-5-sulfonate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1)C2=C3C(=CC(=C2)S(=O)(=O)OC4=CC(=CC(=C4)OC)OC)C=CO3

Isomeric SMILES

C[C@@H]1CN(CCN1)C2=C3C(=CC(=C2)S(=O)(=O)OC4=CC(=CC(=C4)OC)OC)C=CO3

InChI

InChI=1S/C21H24N2O6S/c1-14-13-23(6-5-22-14)20-12-19(8-15-4-7-28-21(15)20)30(24,25)29-18-10-16(26-2)9-17(11-18)27-3/h4,7-12,14,22H,5-6,13H2,1-3H3/t14-/m1/s1