2-(furan-3-ylmethylsulfanyl)-N-[2-oxidanyl-4-[4-(pyrrolidin-1-ylmethyl)pyridin-2-yl]butyl]ethanamide

Systemtic Name: 2-(furan-3-ylmethylsulfanyl)-N-[2-oxidanyl-4-[4-(pyrrolidin-1-ylmethyl)pyridin-2-yl]butyl]ethanamide Openeye Name: 2-(3-furylmethylsulfanyl)-N-[2-hydroxy-4-[4-(pyrrolidin-1-ylmethyl)-2-pyridyl]butyl]acetamide CAS Name: 2-(3-furanylmethylthio)-N-[2-hydroxy-4-[4-(1-pyrrolidinylmethyl)-2-pyridinyl]butyl]acetamide IUPAC Name: 2-(furan-3-ylmethylsulfanyl)-N-[2-hydroxy-4-[4-(pyrrolidin-1-ylmethyl)pyridin-2-yl]butyl]acetamide Traditional Name: 2-(3-furfurylthio)-N-[2-hydroxy-4-[4-(pyrrolidinomethyl)-2-pyridyl]butyl]acetamide Formula: C21H29N3O3S MolecularWeight: 403.53826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=CC(=NC=C2)CCC(CNC(=O)CSCC3=COC=C3)O

Isomeric SMILES

C1CCN(C1)CC2=CC(=NC=C2)CCC(CNC(=O)CSCC3=COC=C3)O

InChI

InChI=1S/C21H29N3O3S/c25-20(12-23-21(26)16-28-15-18-6-10-27-14-18)4-3-19-11-17(5-7-22-19)13-24-8-1-2-9-24/h5-7,10-11,14,20,25H,1-4,8-9,12-13,15-16H2,(H,23,26)