1-[3-[[4-(ethylsulfonylmethylamino)piperidin-1-yl]methyl]-5-fluoranyl-phenyl]-3-pyridin-3-yl-urea

Systemtic Name: 1-[3-[[4-(ethylsulfonylmethylamino)piperidin-1-yl]methyl]-5-fluoranyl-phenyl]-3-pyridin-3-yl-urea Openeye Name: 1-[3-[[4-(ethylsulfonylmethylamino)-1-piperidyl]methyl]-5-fluoro-phenyl]-3-(3-pyridyl)urea CAS Name: 1-[3-[[4-(ethylsulfonylmethylamino)-1-piperidinyl]methyl]-5-fluorophenyl]-3-(3-pyridinyl)urea IUPAC Name: 1-[3-[[4-(ethylsulfonylmethylamino)piperidin-1-yl]methyl]-5-fluorophenyl]-3-pyridin-3-ylurea Traditional Name: 1-[3-[[4-(esylmethylamino)piperidino]methyl]-5-fluoro-phenyl]-3-(3-pyridyl)urea Formula: C21H28FN5O3S MolecularWeight: 449.542123

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)CNC1CCN(CC1)CC2=CC(=CC(=C2)F)NC(=O)NC3=CN=CC=C3

Isomeric SMILES

CCS(=O)(=O)CNC1CCN(CC1)CC2=CC(=CC(=C2)F)NC(=O)NC3=CN=CC=C3

InChI

InChI=1S/C21H28FN5O3S/c1-2-31(29,30)15-24-18-5-8-27(9-6-18)14-16-10-17(22)12-20(11-16)26-21(28)25-19-4-3-7-23-13-19/h3-4,7,10-13,18,24H,2,5-6,8-9,14-15H2,1H3,(H2,25,26,28)