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

Systemtic Name: N-(3-methoxyphenyl)-2-[4-[[3-(3-methylsulfinyl-4-oxidanyl-phenoxy)-2-oxidanyl-propyl]amino]piperidin-1-yl]pyridine-4-carboxamide Openeye Name: 2-[4-[[2-hydroxy-3-(4-hydroxy-3-methylsulfinyl-phenoxy)propyl]amino]-1-piperidyl]-N-(3-methoxyphenyl)pyridine-4-carboxamide CAS Name: 2-[4-[[2-hydroxy-3-(4-hydroxy-3-methylsulfinylphenoxy)propyl]amino]-1-piperidinyl]-N-(3-methoxyphenyl)-4-pyridinecarboxamide IUPAC Name: 2-[4-[[2-hydroxy-3-(4-hydroxy-3-methylsulfinylphenoxy)propyl]amino]piperidin-1-yl]-N-(3-methoxyphenyl)pyridine-4-carboxamide Traditional Name: 2-[4-[[2-hydroxy-3-(4-hydroxy-3-methylsulfinyl-phenoxy)propyl]amino]piperidino]-N-(3-methoxyphenyl)isonicotinamide Formula: C28H34N4O6S MolecularWeight: 554.65776

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)C2=CC(=NC=C2)N3CCC(CC3)NCC(COC4=CC(=C(C=C4)O)S(=O)C)O

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)C2=CC(=NC=C2)N3CCC(CC3)NCC(COC4=CC(=C(C=C4)O)S(=O)C)O

InChI

InChI=1S/C28H34N4O6S/c1-37-23-5-3-4-21(15-23)31-28(35)19-8-11-29-27(14-19)32-12-9-20(10-13-32)30-17-22(33)18-38-24-6-7-25(34)26(16-24)39(2)36/h3-8,11,14-16,20,22,30,33-34H,9-10,12-13,17-18H2,1-2H3,(H,31,35)