1-(6-ethanoylpyridin-3-yl)-3-[[5-[(4-ethylsulfonylpiperazin-1-yl)methyl]-2-fluoranyl-phenyl]methyl]urea

Systemtic Name: 1-(6-ethanoylpyridin-3-yl)-3-[[5-[(4-ethylsulfonylpiperazin-1-yl)methyl]-2-fluoranyl-phenyl]methyl]urea Openeye Name: 1-(6-acetyl-3-pyridyl)-3-[[5-[(4-ethylsulfonylpiperazin-1-yl)methyl]-2-fluoro-phenyl]methyl]urea CAS Name: 1-(6-acetyl-3-pyridinyl)-3-[[5-[(4-ethylsulfonyl-1-piperazinyl)methyl]-2-fluorophenyl]methyl]urea IUPAC Name: 1-(6-acetylpyridin-3-yl)-3-[[5-[(4-ethylsulfonylpiperazin-1-yl)methyl]-2-fluorophenyl]methyl]urea Traditional Name: 1-(6-acetyl-3-pyridyl)-3-[5-[(4-esylpiperazino)methyl]-2-fluoro-benzyl]urea Formula: C22H28FN5O4S MolecularWeight: 477.552223

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCN(CC1)CC2=CC(=C(C=C2)F)CNC(=O)NC3=CN=C(C=C3)C(=O)C

Isomeric SMILES

CCS(=O)(=O)N1CCN(CC1)CC2=CC(=C(C=C2)F)CNC(=O)NC3=CN=C(C=C3)C(=O)C

InChI

InChI=1S/C22H28FN5O4S/c1-3-33(31,32)28-10-8-27(9-11-28)15-17-4-6-20(23)18(12-17)13-25-22(30)26-19-5-7-21(16(2)29)24-14-19/h4-7,12,14H,3,8-11,13,15H2,1-2H3,(H2,25,26,30)