[2-[4-[[3-(3-methylsulfinyl-4-oxidanyl-phenoxy)-2-oxidanyl-propyl]amino]piperidin-1-yl]pyridin-4-yl]-piperidin-1-yl-methanone

Systemtic Name: [2-[4-[[3-(3-methylsulfinyl-4-oxidanyl-phenoxy)-2-oxidanyl-propyl]amino]piperidin-1-yl]pyridin-4-yl]-piperidin-1-yl-methanone Openeye Name: [2-[4-[[2-hydroxy-3-(4-hydroxy-3-methylsulfinyl-phenoxy)propyl]amino]-1-piperidyl]-4-pyridyl]-(1-piperidyl)methanone CAS Name: [2-[4-[[2-hydroxy-3-(4-hydroxy-3-methylsulfinylphenoxy)propyl]amino]-1-piperidinyl]-4-pyridinyl]-(1-piperidinyl)methanone IUPAC Name: [2-[4-[[2-hydroxy-3-(4-hydroxy-3-methylsulfinylphenoxy)propyl]amino]piperidin-1-yl]pyridin-4-yl]-piperidin-1-ylmethanone Traditional Name: [2-[4-[[2-hydroxy-3-(4-hydroxy-3-methylsulfinyl-phenoxy)propyl]amino]piperidino]-4-pyridyl]-piperidino-methanone Formula: C26H36N4O5S MolecularWeight: 516.65284

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)C1=C(C=CC(=C1)OCC(CNC2CCN(CC2)C3=NC=CC(=C3)C(=O)N4CCCCC4)O)O

Isomeric SMILES

CS(=O)C1=C(C=CC(=C1)OCC(CNC2CCN(CC2)C3=NC=CC(=C3)C(=O)N4CCCCC4)O)O

InChI

InChI=1S/C26H36N4O5S/c1-36(34)24-16-22(5-6-23(24)32)35-18-21(31)17-28-20-8-13-29(14-9-20)25-15-19(7-10-27-25)26(33)30-11-3-2-4-12-30/h5-7,10,15-16,20-21,28,31-32H,2-4,8-9,11-14,17-18H2,1H3