6-[4-[[4-(3-methylsulfinyl-4-oxidanyl-phenoxy)-3-oxidanyl-butyl]amino]piperidin-1-yl]-N-(phenylmethyl)pyridine-3-carboxamide

Systemtic Name: 6-[4-[[4-(3-methylsulfinyl-4-oxidanyl-phenoxy)-3-oxidanyl-butyl]amino]piperidin-1-yl]-N-(phenylmethyl)pyridine-3-carboxamide Openeye Name: N-benzyl-6-[4-[[3-hydroxy-4-(4-hydroxy-3-methylsulfinyl-phenoxy)butyl]amino]-1-piperidyl]pyridine-3-carboxamide CAS Name: 6-[4-[[3-hydroxy-4-(4-hydroxy-3-methylsulfinylphenoxy)butyl]amino]-1-piperidinyl]-N-(phenylmethyl)-3-pyridinecarboxamide IUPAC Name: N-benzyl-6-[4-[[3-hydroxy-4-(4-hydroxy-3-methylsulfinylphenoxy)butyl]amino]piperidin-1-yl]pyridine-3-carboxamide Traditional Name: N-benzyl-6-[4-[[3-hydroxy-4-(4-hydroxy-3-methylsulfinyl-phenoxy)butyl]amino]piperidino]nicotinamide Formula: C29H36N4O5S MolecularWeight: 552.68494

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)C1=C(C=CC(=C1)OCC(CCNC2CCN(CC2)C3=NC=C(C=C3)C(=O)NCC4=CC=CC=C4)O)O

Isomeric SMILES

CS(=O)C1=C(C=CC(=C1)OCC(CCNC2CCN(CC2)C3=NC=C(C=C3)C(=O)NCC4=CC=CC=C4)O)O

InChI

InChI=1S/C29H36N4O5S/c1-39(37)27-17-25(8-9-26(27)35)38-20-24(34)11-14-30-23-12-15-33(16-13-23)28-10-7-22(19-31-28)29(36)32-18-21-5-3-2-4-6-21/h2-10,17,19,23-24,30,34-35H,11-16,18,20H2,1H3,(H,32,36)