2-(furan-3-ylmethylsulfinyl)-N-[(Z)-2-oxidanyl-4-[4-(piperidin-1-ylmethyl)pyridin-2-yl]but-2-enyl]ethanamide

Systemtic Name: 2-(furan-3-ylmethylsulfinyl)-N-[(Z)-2-oxidanyl-4-[4-(piperidin-1-ylmethyl)pyridin-2-yl]but-2-enyl]ethanamide Openeye Name: 2-(3-furylmethylsulfinyl)-N-[(Z)-2-hydroxy-4-[4-(1-piperidylmethyl)-2-pyridyl]but-2-enyl]acetamide CAS Name: 2-(3-furanylmethylsulfinyl)-N-[(Z)-2-hydroxy-4-[4-(1-piperidinylmethyl)-2-pyridinyl]but-2-enyl]acetamide IUPAC Name: 2-(furan-3-ylmethylsulfinyl)-N-[(Z)-2-hydroxy-4-[4-(piperidin-1-ylmethyl)pyridin-2-yl]but-2-enyl]acetamide Traditional Name: 2-(3-furfurylsulfinyl)-N-[(Z)-2-hydroxy-4-[4-(piperidinomethyl)-2-pyridyl]but-2-enyl]acetamide Formula: C22H29N3O4S MolecularWeight: 431.54836

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=CC(=NC=C2)CC=C(CNC(=O)CS(=O)CC3=COC=C3)O

Isomeric SMILES

C1CCN(CC1)CC2=CC(=NC=C2)C/C=C(/CNC(=O)CS(=O)CC3=COC=C3)\O

InChI

InChI=1S/C22H29N3O4S/c26-21(13-24-22(27)17-30(28)16-19-7-11-29-15-19)5-4-20-12-18(6-8-23-20)14-25-9-2-1-3-10-25/h5-8,11-12,15,26H,1-4,9-10,13-14,16-17H2,(H,24,27)/b21-5-