2-[4-[[3-(3-methylsulfinyl-4-oxidanyl-phenoxy)-2-oxidanyl-propyl]amino]piperidin-1-yl]-N-(phenylmethyl)pyridine-4-carboxamide

Systemtic Name: 2-[4-[[3-(3-methylsulfinyl-4-oxidanyl-phenoxy)-2-oxidanyl-propyl]amino]piperidin-1-yl]-N-(phenylmethyl)pyridine-4-carboxamide Openeye Name: N-benzyl-2-[4-[[2-hydroxy-3-(4-hydroxy-3-methylsulfinyl-phenoxy)propyl]amino]-1-piperidyl]pyridine-4-carboxamide CAS Name: 2-[4-[[2-hydroxy-3-(4-hydroxy-3-methylsulfinylphenoxy)propyl]amino]-1-piperidinyl]-N-(phenylmethyl)-4-pyridinecarboxamide IUPAC Name: N-benzyl-2-[4-[[2-hydroxy-3-(4-hydroxy-3-methylsulfinylphenoxy)propyl]amino]piperidin-1-yl]pyridine-4-carboxamide Traditional Name: N-benzyl-2-[4-[[2-hydroxy-3-(4-hydroxy-3-methylsulfinyl-phenoxy)propyl]amino]piperidino]isonicotinamide Formula: C28H34N4O5S MolecularWeight: 538.65836

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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)NCC4=CC=CC=C4)O)O

Isomeric SMILES

CS(=O)C1=C(C=CC(=C1)OCC(CNC2CCN(CC2)C3=NC=CC(=C3)C(=O)NCC4=CC=CC=C4)O)O

InChI

InChI=1S/C28H34N4O5S/c1-38(36)26-16-24(7-8-25(26)34)37-19-23(33)18-30-22-10-13-32(14-11-22)27-15-21(9-12-29-27)28(35)31-17-20-5-3-2-4-6-20/h2-9,12,15-16,22-23,30,33-34H,10-11,13-14,17-19H2,1H3,(H,31,35)