N-[(Z)-4-[4-(azepan-1-ylmethyl)pyridin-2-yl]oxybut-2-enyl]-2-(furan-2-ylmethylsulfinyl)ethanamide

Systemtic Name: N-[(Z)-4-[4-(azepan-1-ylmethyl)pyridin-2-yl]oxybut-2-enyl]-2-(furan-2-ylmethylsulfinyl)ethanamide Openeye Name: N-[(Z)-4-[[4-(azepan-1-ylmethyl)-2-pyridyl]oxy]but-2-enyl]-2-(2-furylmethylsulfinyl)acetamide CAS Name: N-[(Z)-4-[[4-(1-azepanylmethyl)-2-pyridinyl]oxy]but-2-enyl]-2-(2-furanylmethylsulfinyl)acetamide IUPAC Name: N-[(Z)-4-[4-(azepan-1-ylmethyl)pyridin-2-yl]oxybut-2-enyl]-2-(furan-2-ylmethylsulfinyl)acetamide Traditional Name: N-[(Z)-4-[[4-(azepan-1-ylmethyl)-2-pyridyl]oxy]but-2-enyl]-2-(2-furfurylsulfinyl)acetamide Formula: C23H31N3O4S MolecularWeight: 445.57494

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CC2=CC(=NC=C2)OCC=CCNC(=O)CS(=O)CC3=CC=CO3

Isomeric SMILES

C1CCCN(CC1)CC2=CC(=NC=C2)OC/C=C\CNC(=O)CS(=O)CC3=CC=CO3

InChI

InChI=1S/C23H31N3O4S/c27-22(19-31(28)18-21-8-7-15-29-21)24-10-3-6-14-30-23-16-20(9-11-25-23)17-26-12-4-1-2-5-13-26/h3,6-9,11,15-16H,1-2,4-5,10,12-14,17-19H2,(H,24,27)/b6-3-