6-[4-[[3-(3-methylsulfinyl-4-oxidanyl-phenoxy)-2-oxidanyl-propyl]amino]piperidin-1-yl]-N-(phenylmethyl)pyridine-3-carboxamide

Systemtic Name: 6-[4-[[3-(3-methylsulfinyl-4-oxidanyl-phenoxy)-2-oxidanyl-propyl]amino]piperidin-1-yl]-N-(phenylmethyl)pyridine-3-carboxamide Openeye Name: N-benzyl-6-[4-[[2-hydroxy-3-(4-hydroxy-3-methylsulfinyl-phenoxy)propyl]amino]-1-piperidyl]pyridine-3-carboxamide CAS Name: 6-[4-[[2-hydroxy-3-(4-hydroxy-3-methylsulfinylphenoxy)propyl]amino]-1-piperidinyl]-N-(phenylmethyl)-3-pyridinecarboxamide IUPAC Name: N-benzyl-6-[4-[[2-hydroxy-3-(4-hydroxy-3-methylsulfinylphenoxy)propyl]amino]piperidin-1-yl]pyridine-3-carboxamide Traditional Name: N-benzyl-6-[4-[[2-hydroxy-3-(4-hydroxy-3-methylsulfinyl-phenoxy)propyl]amino]piperidino]nicotinamide 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=C(C=C3)C(=O)NCC4=CC=CC=C4)O)O

Isomeric SMILES

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

InChI

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