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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H34N4O5S/c1-3-10-26-25(32)18-4-5-20(27-14-18)16-29-11-8-19(9-12-29)28-15-21(30)17-34-22-6-7-23(31)24(13-22)35(2)33/h3-7,13-14,19,21,28,30-31H,1,8-12,15-17H2,2H3,(H,26,32)