(2,3-dimethoxyphenyl) 7-[(3S)-3-methylpiperazin-1-yl]-1-benzofuran-5-sulfonate

Systemtic Name: (2,3-dimethoxyphenyl) 7-[(3S)-3-methylpiperazin-1-yl]-1-benzofuran-5-sulfonate Openeye Name: (2,3-dimethoxyphenyl) 7-[(3S)-3-methylpiperazin-1-yl]benzofuran-5-sulfonate CAS Name: 7-[(3S)-3-methyl-1-piperazinyl]-5-benzofuransulfonic acid (2,3-dimethoxyphenyl) ester IUPAC Name: (2,3-dimethoxyphenyl) 7-[(3S)-3-methylpiperazin-1-yl]-1-benzofuran-5-sulfonate Traditional Name: 7-[(3S)-3-methylpiperazino]benzofuran-5-sulfonic acid (2,3-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(=C4OC)OC)C=CO3

Isomeric SMILES

C[C@H]1CN(CCN1)C2=C3C(=CC(=C2)S(=O)(=O)OC4=CC=CC(=C4OC)OC)C=CO3

InChI

InChI=1S/C21H24N2O6S/c1-14-13-23(9-8-22-14)17-12-16(11-15-7-10-28-20(15)17)30(24,25)29-19-6-4-5-18(26-2)21(19)27-3/h4-7,10-12,14,22H,8-9,13H2,1-3H3/t14-/m0/s1