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

Systemtic Name: pyridin-3-yl 7-(4-methylpiperazin-1-yl)-1-benzofuran-5-sulfonate Openeye Name: 3-pyridyl 7-(4-methylpiperazin-1-yl)benzofuran-5-sulfonate CAS Name: 7-(4-methyl-1-piperazinyl)-5-benzofuransulfonic acid 3-pyridinyl ester IUPAC Name: pyridin-3-yl 7-(4-methylpiperazin-1-yl)-1-benzofuran-5-sulfonate Traditional Name: 7-(4-methylpiperazino)benzofuran-5-sulfonic acid 3-pyridyl ester Formula: C18H19N3O4S MolecularWeight: 373.42616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O4S/c1-20-6-8-21(9-7-20)17-12-16(11-14-4-10-24-18(14)17)26(22,23)25-15-3-2-5-19-13-15/h2-5,10-13H,6-9H2,1H3