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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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