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

Systemtic Name: 6-[[4-[[3-(3-methylsulfinyl-4-oxidanyl-phenoxy)-2-oxidanyl-propyl]amino]piperidin-1-yl]methyl]-N-pentyl-pyridine-3-carboxamide Openeye Name: 6-[[4-[[2-hydroxy-3-(4-hydroxy-3-methylsulfinyl-phenoxy)propyl]amino]-1-piperidyl]methyl]-N-pentyl-pyridine-3-carboxamide CAS Name: 6-[[4-[[2-hydroxy-3-(4-hydroxy-3-methylsulfinylphenoxy)propyl]amino]-1-piperidinyl]methyl]-N-pentyl-3-pyridinecarboxamide IUPAC Name: 6-[[4-[[2-hydroxy-3-(4-hydroxy-3-methylsulfinylphenoxy)propyl]amino]piperidin-1-yl]methyl]-N-pentylpyridine-3-carboxamide Traditional Name: N-amyl-6-[[4-[[2-hydroxy-3-(4-hydroxy-3-methylsulfinyl-phenoxy)propyl]amino]piperidino]methyl]nicotinamide Formula: C27H40N4O5S MolecularWeight: 532.6953

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)C1=CN=C(C=C1)CN2CCC(CC2)NCC(COC3=CC(=C(C=C3)O)S(=O)C)O

Isomeric SMILES

CCCCCNC(=O)C1=CN=C(C=C1)CN2CCC(CC2)NCC(COC3=CC(=C(C=C3)O)S(=O)C)O

InChI

InChI=1S/C27H40N4O5S/c1-3-4-5-12-28-27(34)20-6-7-22(29-16-20)18-31-13-10-21(11-14-31)30-17-23(32)19-36-24-8-9-25(33)26(15-24)37(2)35/h6-9,15-16,21,23,30,32-33H,3-5,10-14,17-19H2,1-2H3,(H,28,34)