[6-[[4-[[3-(3-methylsulfinyl-4-oxidanyl-phenoxy)-2-oxidanyl-propyl]amino]piperidin-1-yl]methyl]pyridin-3-yl]-pyrrolidin-1-yl-methanone

Systemtic Name: [6-[[4-[[3-(3-methylsulfinyl-4-oxidanyl-phenoxy)-2-oxidanyl-propyl]amino]piperidin-1-yl]methyl]pyridin-3-yl]-pyrrolidin-1-yl-methanone Openeye Name: [6-[[4-[[2-hydroxy-3-(4-hydroxy-3-methylsulfinyl-phenoxy)propyl]amino]-1-piperidyl]methyl]-3-pyridyl]-pyrrolidin-1-yl-methanone CAS Name: [6-[[4-[[2-hydroxy-3-(4-hydroxy-3-methylsulfinylphenoxy)propyl]amino]-1-piperidinyl]methyl]-3-pyridinyl]-(1-pyrrolidinyl)methanone IUPAC Name: [6-[[4-[[2-hydroxy-3-(4-hydroxy-3-methylsulfinylphenoxy)propyl]amino]piperidin-1-yl]methyl]pyridin-3-yl]-pyrrolidin-1-ylmethanone Traditional Name: [6-[[4-[[2-hydroxy-3-(4-hydroxy-3-methylsulfinyl-phenoxy)propyl]amino]piperidino]methyl]-3-pyridyl]-pyrrolidino-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)CC3=NC=C(C=C3)C(=O)N4CCCC4)O)O

Isomeric SMILES

CS(=O)C1=C(C=CC(=C1)OCC(CNC2CCN(CC2)CC3=NC=C(C=C3)C(=O)N4CCCC4)O)O

InChI

InChI=1S/C26H36N4O5S/c1-36(34)25-14-23(6-7-24(25)32)35-18-22(31)16-28-20-8-12-29(13-9-20)17-21-5-4-19(15-27-21)26(33)30-10-2-3-11-30/h4-7,14-15,20,22,28,31-32H,2-3,8-13,16-18H2,1H3