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

Systemtic Name: N-cyclopropyl-6-[[4-[[3-(3-methylsulfinyl-4-oxidanyl-phenoxy)-2-oxidanyl-propyl]amino]piperidin-1-yl]methyl]pyridine-3-carboxamide Openeye Name: N-cyclopropyl-6-[[4-[[2-hydroxy-3-(4-hydroxy-3-methylsulfinyl-phenoxy)propyl]amino]-1-piperidyl]methyl]pyridine-3-carboxamide CAS Name: N-cyclopropyl-6-[[4-[[2-hydroxy-3-(4-hydroxy-3-methylsulfinylphenoxy)propyl]amino]-1-piperidinyl]methyl]-3-pyridinecarboxamide IUPAC Name: N-cyclopropyl-6-[[4-[[2-hydroxy-3-(4-hydroxy-3-methylsulfinylphenoxy)propyl]amino]piperidin-1-yl]methyl]pyridine-3-carboxamide Traditional Name: N-cyclopropyl-6-[[4-[[2-hydroxy-3-(4-hydroxy-3-methylsulfinyl-phenoxy)propyl]amino]piperidino]methyl]nicotinamide Formula: C25H34N4O5S MolecularWeight: 502.62626

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)C1=C(C=CC(=C1)OCC(CNC2CCN(CC2)CC3=NC=C(C=C3)C(=O)NC4CC4)O)O

Isomeric SMILES

CS(=O)C1=C(C=CC(=C1)OCC(CNC2CCN(CC2)CC3=NC=C(C=C3)C(=O)NC4CC4)O)O

InChI

InChI=1S/C25H34N4O5S/c1-35(33)24-12-22(6-7-23(24)31)34-16-21(30)14-27-18-8-10-29(11-9-18)15-20-3-2-17(13-26-20)25(32)28-19-4-5-19/h2-3,6-7,12-13,18-19,21,27,30-31H,4-5,8-11,14-16H2,1H3,(H,28,32)