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

Systemtic Name: [6-[[4-(2-hydroxyphenyl)piperazin-1-yl]methyl]-2-(2-methoxyphenyl)pyridin-3-yl] methanesulfonate Openeye Name: [6-[[4-(2-hydroxyphenyl)piperazin-1-yl]methyl]-2-(2-methoxyphenyl)-3-pyridyl] methanesulfonate CAS Name: methanesulfonic acid [6-[[4-(2-hydroxyphenyl)-1-piperazinyl]methyl]-2-(2-methoxyphenyl)-3-pyridinyl] ester IUPAC Name: [6-[[4-(2-hydroxyphenyl)piperazin-1-yl]methyl]-2-(2-methoxyphenyl)pyridin-3-yl] methanesulfonate Traditional Name: methanesulfonic acid [6-[[4-(2-hydroxyphenyl)piperazino]methyl]-2-(2-methoxyphenyl)-3-pyridyl] ester Formula: C24H27N3O5S MolecularWeight: 469.55328

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=C(C=CC(=N2)CN3CCN(CC3)C4=CC=CC=C4O)OS(=O)(=O)C

Isomeric SMILES

COC1=CC=CC=C1C2=C(C=CC(=N2)CN3CCN(CC3)C4=CC=CC=C4O)OS(=O)(=O)C

InChI

InChI=1S/C24H27N3O5S/c1-31-22-10-6-3-7-19(22)24-23(32-33(2,29)30)12-11-18(25-24)17-26-13-15-27(16-14-26)20-8-4-5-9-21(20)28/h3-12,28H,13-17H2,1-2H3