cyclohexyl [4-(2-methoxyphenyl)-1-(3-pyridin-2-ylpropyl)piperazin-2-yl] sulfate

Systemtic Name: cyclohexyl [4-(2-methoxyphenyl)-1-(3-pyridin-2-ylpropyl)piperazin-2-yl] sulfate Openeye Name: cyclohexyl [4-(2-methoxyphenyl)-1-[3-(2-pyridyl)propyl]piperazin-2-yl] sulfate CAS Name: sulfuric acid cyclohexyl [4-(2-methoxyphenyl)-1-[3-(2-pyridinyl)propyl]-2-piperazinyl] ester IUPAC Name: cyclohexyl [4-(2-methoxyphenyl)-1-(3-pyridin-2-ylpropyl)piperazin-2-yl] sulfate Traditional Name: sulfuric acid cyclohexyl [4-(2-methoxyphenyl)-1-[3-(2-pyridyl)propyl]piperazin-2-yl] ester Formula: C25H35N3O5S MolecularWeight: 489.6275

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(C(C2)OS(=O)(=O)OC3CCCCC3)CCCC4=CC=CC=N4

Isomeric SMILES

COC1=CC=CC=C1N2CCN(C(C2)OS(=O)(=O)OC3CCCCC3)CCCC4=CC=CC=N4

InChI

InChI=1S/C25H35N3O5S/c1-31-24-15-6-5-14-23(24)28-19-18-27(17-9-11-21-10-7-8-16-26-21)25(20-28)33-34(29,30)32-22-12-3-2-4-13-22/h5-8,10,14-16,22,25H,2-4,9,11-13,17-20H2,1H3