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

Systemtic Name: N-hexyl-6-[[4-[[3-(3-methylsulfinyl-4-oxidanyl-phenoxy)-2-oxidanyl-propyl]amino]piperidin-1-yl]methyl]pyridine-3-carboxamide Openeye Name: N-hexyl-6-[[4-[[2-hydroxy-3-(4-hydroxy-3-methylsulfinyl-phenoxy)propyl]amino]-1-piperidyl]methyl]pyridine-3-carboxamide CAS Name: N-hexyl-6-[[4-[[2-hydroxy-3-(4-hydroxy-3-methylsulfinylphenoxy)propyl]amino]-1-piperidinyl]methyl]-3-pyridinecarboxamide IUPAC Name: N-hexyl-6-[[4-[[2-hydroxy-3-(4-hydroxy-3-methylsulfinylphenoxy)propyl]amino]piperidin-1-yl]methyl]pyridine-3-carboxamide Traditional Name: N-hexyl-6-[[4-[[2-hydroxy-3-(4-hydroxy-3-methylsulfinyl-phenoxy)propyl]amino]piperidino]methyl]nicotinamide Formula: C28H42N4O5S MolecularWeight: 546.72188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H42N4O5S/c1-3-4-5-6-13-29-28(35)21-7-8-23(30-17-21)19-32-14-11-22(12-15-32)31-18-24(33)20-37-25-9-10-26(34)27(16-25)38(2)36/h7-10,16-17,22,24,31,33-34H,3-6,11-15,18-20H2,1-2H3,(H,29,35)