2-(furan-3-ylmethylsulfinyl)-N-[4-[4-[(4-methylpiperazin-1-yl)methyl]pyridin-2-yl]-2-oxidanyl-butyl]ethanamide

Systemtic Name: 2-(furan-3-ylmethylsulfinyl)-N-[4-[4-[(4-methylpiperazin-1-yl)methyl]pyridin-2-yl]-2-oxidanyl-butyl]ethanamide Openeye Name: 2-(3-furylmethylsulfinyl)-N-[2-hydroxy-4-[4-[(4-methylpiperazin-1-yl)methyl]-2-pyridyl]butyl]acetamide CAS Name: 2-(3-furanylmethylsulfinyl)-N-[2-hydroxy-4-[4-[(4-methyl-1-piperazinyl)methyl]-2-pyridinyl]butyl]acetamide IUPAC Name: 2-(furan-3-ylmethylsulfinyl)-N-[2-hydroxy-4-[4-[(4-methylpiperazin-1-yl)methyl]pyridin-2-yl]butyl]acetamide Traditional Name: 2-(3-furfurylsulfinyl)-N-[2-hydroxy-4-[4-[(4-methylpiperazino)methyl]-2-pyridyl]butyl]acetamide Formula: C22H32N4O4S MolecularWeight: 448.57888

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC2=CC(=NC=C2)CCC(CNC(=O)CS(=O)CC3=COC=C3)O

Isomeric SMILES

CN1CCN(CC1)CC2=CC(=NC=C2)CCC(CNC(=O)CS(=O)CC3=COC=C3)O

InChI

InChI=1S/C22H32N4O4S/c1-25-7-9-26(10-8-25)14-18-4-6-23-20(12-18)2-3-21(27)13-24-22(28)17-31(29)16-19-5-11-30-15-19/h4-6,11-12,15,21,27H,2-3,7-10,13-14,16-17H2,1H3,(H,24,28)