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

Systemtic Name: 1-[[2-fluoranyl-3-[(4-propylsulfonylpiperazin-1-yl)methyl]phenyl]methyl]-3-(6-methylpyridin-3-yl)urea Openeye Name: 1-[[2-fluoro-3-[(4-propylsulfonylpiperazin-1-yl)methyl]phenyl]methyl]-3-(6-methyl-3-pyridyl)urea CAS Name: 1-[[2-fluoro-3-[(4-propylsulfonyl-1-piperazinyl)methyl]phenyl]methyl]-3-(6-methyl-3-pyridinyl)urea IUPAC Name: 1-[[2-fluoro-3-[(4-propylsulfonylpiperazin-1-yl)methyl]phenyl]methyl]-3-(6-methylpyridin-3-yl)urea Traditional Name: 1-[2-fluoro-3-[(4-propylsulfonylpiperazino)methyl]benzyl]-3-(6-methyl-3-pyridyl)urea Formula: C22H30FN5O3S MolecularWeight: 463.568703

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30FN5O3S/c1-3-13-32(30,31)28-11-9-27(10-12-28)16-19-6-4-5-18(21(19)23)14-25-22(29)26-20-8-7-17(2)24-15-20/h4-8,15H,3,9-14,16H2,1-2H3,(H2,25,26,29)