N-[(E)-4-[4-(piperidin-1-ylmethyl)pyridin-2-yl]oxybut-2-enyl]-4-pyrimidin-2-ylsulfinyl-butanamide

Systemtic Name: N-[(E)-4-[4-(piperidin-1-ylmethyl)pyridin-2-yl]oxybut-2-enyl]-4-pyrimidin-2-ylsulfinyl-butanamide Openeye Name: N-[(E)-4-[[4-(1-piperidylmethyl)-2-pyridyl]oxy]but-2-enyl]-4-pyrimidin-2-ylsulfinyl-butanamide CAS Name: N-[(E)-4-[[4-(1-piperidinylmethyl)-2-pyridinyl]oxy]but-2-enyl]-4-(2-pyrimidinylsulfinyl)butanamide IUPAC Name: N-[(E)-4-[4-(piperidin-1-ylmethyl)pyridin-2-yl]oxybut-2-enyl]-4-pyrimidin-2-ylsulfinylbutanamide Traditional Name: N-[(E)-4-[[4-(piperidinomethyl)-2-pyridyl]oxy]but-2-enyl]-4-(2-pyrimidylsulfinyl)butyramide Formula: C23H31N5O3S MolecularWeight: 457.58894

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=CC(=NC=C2)OCC=CCNC(=O)CCCS(=O)C3=NC=CC=N3

Isomeric SMILES

C1CCN(CC1)CC2=CC(=NC=C2)OC/C=C/CNC(=O)CCCS(=O)C3=NC=CC=N3

InChI

InChI=1S/C23H31N5O3S/c29-21(8-6-17-32(30)23-26-11-7-12-27-23)24-10-2-5-16-31-22-18-20(9-13-25-22)19-28-14-3-1-4-15-28/h2,5,7,9,11-13,18H,1,3-4,6,8,10,14-17,19H2,(H,24,29)/b5-2+