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

Systemtic Name: 1-(6-cyanopyridin-3-yl)-3-[[5-[(4-ethylsulfonylpiperazin-1-yl)methyl]-2-fluoranyl-phenyl]methyl]urea Openeye Name: 1-(6-cyano-3-pyridyl)-3-[[5-[(4-ethylsulfonylpiperazin-1-yl)methyl]-2-fluoro-phenyl]methyl]urea CAS Name: 1-(6-cyano-3-pyridinyl)-3-[[5-[(4-ethylsulfonyl-1-piperazinyl)methyl]-2-fluorophenyl]methyl]urea IUPAC Name: 1-(6-cyanopyridin-3-yl)-3-[[5-[(4-ethylsulfonylpiperazin-1-yl)methyl]-2-fluorophenyl]methyl]urea Traditional Name: 1-(6-cyano-3-pyridyl)-3-[5-[(4-esylpiperazino)methyl]-2-fluoro-benzyl]urea Formula: C21H25FN6O3S MolecularWeight: 460.525003

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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#N

Isomeric SMILES

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

InChI

InChI=1S/C21H25FN6O3S/c1-2-32(30,31)28-9-7-27(8-10-28)15-16-3-6-20(22)17(11-16)13-25-21(29)26-19-5-4-18(12-23)24-14-19/h3-6,11,14H,2,7-10,13,15H2,1H3,(H2,25,26,29)