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

Systemtic Name: 2-(furan-2-ylmethylsulfinyl)-N-[4-[4-[(4-methylpiperazin-1-yl)methyl]pyridin-2-yl]-2-oxidanyl-butyl]ethanamide Openeye Name: 2-(2-furylmethylsulfinyl)-N-[2-hydroxy-4-[4-[(4-methylpiperazin-1-yl)methyl]-2-pyridyl]butyl]acetamide CAS Name: 2-(2-furanylmethylsulfinyl)-N-[2-hydroxy-4-[4-[(4-methyl-1-piperazinyl)methyl]-2-pyridinyl]butyl]acetamide IUPAC Name: 2-(furan-2-ylmethylsulfinyl)-N-[2-hydroxy-4-[4-[(4-methylpiperazin-1-yl)methyl]pyridin-2-yl]butyl]acetamide Traditional Name: 2-(2-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=CC=CO3)O

Isomeric SMILES

CN1CCN(CC1)CC2=CC(=NC=C2)CCC(CNC(=O)CS(=O)CC3=CC=CO3)O

InChI

InChI=1S/C22H32N4O4S/c1-25-8-10-26(11-9-25)15-18-6-7-23-19(13-18)4-5-20(27)14-24-22(28)17-31(29)16-21-3-2-12-30-21/h2-3,6-7,12-13,20,27H,4-5,8-11,14-17H2,1H3,(H,24,28)