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

Systemtic Name: 1-[[5-[(4-ethylsulfonylpiperazin-1-yl)methyl]-2-fluoranyl-phenyl]methyl]-3-(6-methylpyridin-3-yl)urea Openeye Name: 1-[[5-[(4-ethylsulfonylpiperazin-1-yl)methyl]-2-fluoro-phenyl]methyl]-3-(6-methyl-3-pyridyl)urea CAS Name: 1-[[5-[(4-ethylsulfonyl-1-piperazinyl)methyl]-2-fluorophenyl]methyl]-3-(6-methyl-3-pyridinyl)urea IUPAC Name: 1-[[5-[(4-ethylsulfonylpiperazin-1-yl)methyl]-2-fluorophenyl]methyl]-3-(6-methylpyridin-3-yl)urea Traditional Name: 1-[5-[(4-esylpiperazino)methyl]-2-fluoro-benzyl]-3-(6-methyl-3-pyridyl)urea Formula: C21H28FN5O3S MolecularWeight: 449.542123

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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

Isomeric SMILES

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

InChI

InChI=1S/C21H28FN5O3S/c1-3-31(29,30)27-10-8-26(9-11-27)15-17-5-7-20(22)18(12-17)13-24-21(28)25-19-6-4-16(2)23-14-19/h4-7,12,14H,3,8-11,13,15H2,1-2H3,(H2,24,25,28)