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

Systemtic Name: N-cyclohexyl-6-[[4-[[3-(3-methylsulfinyl-4-oxidanyl-phenoxy)-2-oxidanyl-propyl]amino]piperidin-1-yl]methyl]pyridine-3-carboxamide Openeye Name: N-cyclohexyl-6-[[4-[[2-hydroxy-3-(4-hydroxy-3-methylsulfinyl-phenoxy)propyl]amino]-1-piperidyl]methyl]pyridine-3-carboxamide CAS Name: N-cyclohexyl-6-[[4-[[2-hydroxy-3-(4-hydroxy-3-methylsulfinylphenoxy)propyl]amino]-1-piperidinyl]methyl]-3-pyridinecarboxamide IUPAC Name: N-cyclohexyl-6-[[4-[[2-hydroxy-3-(4-hydroxy-3-methylsulfinylphenoxy)propyl]amino]piperidin-1-yl]methyl]pyridine-3-carboxamide Traditional Name: N-cyclohexyl-6-[[4-[[2-hydroxy-3-(4-hydroxy-3-methylsulfinyl-phenoxy)propyl]amino]piperidino]methyl]nicotinamide Formula: C28H40N4O5S MolecularWeight: 544.706

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)C1=C(C=CC(=C1)OCC(CNC2CCN(CC2)CC3=NC=C(C=C3)C(=O)NC4CCCCC4)O)O

Isomeric SMILES

CS(=O)C1=C(C=CC(=C1)OCC(CNC2CCN(CC2)CC3=NC=C(C=C3)C(=O)NC4CCCCC4)O)O

InChI

InChI=1S/C28H40N4O5S/c1-38(36)27-15-25(9-10-26(27)34)37-19-24(33)17-30-21-11-13-32(14-12-21)18-23-8-7-20(16-29-23)28(35)31-22-5-3-2-4-6-22/h7-10,15-16,21-22,24,30,33-34H,2-6,11-14,17-19H2,1H3,(H,31,35)