[2-[[4-(1-benzofuran-7-yl)piperazin-1-yl]methyl]-6-(3-hydroxyphenyl)pyridin-4-yl] methanesulfonate

Systemtic Name: [2-[[4-(1-benzofuran-7-yl)piperazin-1-yl]methyl]-6-(3-hydroxyphenyl)pyridin-4-yl] methanesulfonate Openeye Name: [2-[[4-(benzofuran-7-yl)piperazin-1-yl]methyl]-6-(3-hydroxyphenyl)-4-pyridyl] methanesulfonate CAS Name: methanesulfonic acid [2-[[4-(7-benzofuranyl)-1-piperazinyl]methyl]-6-(3-hydroxyphenyl)-4-pyridinyl] ester IUPAC Name: [2-[[4-(1-benzofuran-7-yl)piperazin-1-yl]methyl]-6-(3-hydroxyphenyl)pyridin-4-yl] methanesulfonate Traditional Name: methanesulfonic acid [2-[[4-(benzofuran-7-yl)piperazino]methyl]-6-(3-hydroxyphenyl)-4-pyridyl] ester Formula: C25H25N3O5S MolecularWeight: 479.5481

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1=CC(=NC(=C1)CN2CCN(CC2)C3=CC=CC4=C3OC=C4)C5=CC(=CC=C5)O

Isomeric SMILES

CS(=O)(=O)OC1=CC(=NC(=C1)CN2CCN(CC2)C3=CC=CC4=C3OC=C4)C5=CC(=CC=C5)O

InChI

InChI=1S/C25H25N3O5S/c1-34(30,31)33-22-15-20(26-23(16-22)19-5-2-6-21(29)14-19)17-27-9-11-28(12-10-27)24-7-3-4-18-8-13-32-25(18)24/h2-8,13-16,29H,9-12,17H2,1H3