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

Systemtic Name: 2-(furan-3-ylmethylsulfonyl)-N-[(Z)-2-oxidanyl-4-[4-(pyrrolidin-1-ylmethyl)pyridin-2-yl]but-1-enyl]ethanamide Openeye Name: 2-(3-furylmethylsulfonyl)-N-[(Z)-2-hydroxy-4-[4-(pyrrolidin-1-ylmethyl)-2-pyridyl]but-1-enyl]acetamide CAS Name: 2-(3-furanylmethylsulfonyl)-N-[(Z)-2-hydroxy-4-[4-(1-pyrrolidinylmethyl)-2-pyridinyl]but-1-enyl]acetamide IUPAC Name: 2-(furan-3-ylmethylsulfonyl)-N-[(Z)-2-hydroxy-4-[4-(pyrrolidin-1-ylmethyl)pyridin-2-yl]but-1-enyl]acetamide Traditional Name: 2-(3-furfurylsulfonyl)-N-[(Z)-2-hydroxy-4-[4-(pyrrolidinomethyl)-2-pyridyl]but-1-enyl]acetamide Formula: C21H27N3O5S MolecularWeight: 433.52118

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=CC(=NC=C2)CCC(=CNC(=O)CS(=O)(=O)CC3=COC=C3)O

Isomeric SMILES

C1CCN(C1)CC2=CC(=NC=C2)CC/C(=C/NC(=O)CS(=O)(=O)CC3=COC=C3)/O

InChI

InChI=1S/C21H27N3O5S/c25-20(12-23-21(26)16-30(27,28)15-18-6-10-29-14-18)4-3-19-11-17(5-7-22-19)13-24-8-1-2-9-24/h5-7,10-12,14,25H,1-4,8-9,13,15-16H2,(H,23,26)/b20-12-