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

Systemtic Name: 1-[[2-fluoranyl-5-[(4-propylsulfonylpiperazin-1-yl)methyl]phenyl]methyl]-1-(6-methylpyridin-3-yl)urea Openeye Name: 1-[[2-fluoro-5-[(4-propylsulfonylpiperazin-1-yl)methyl]phenyl]methyl]-1-(6-methyl-3-pyridyl)urea CAS Name: 1-[[2-fluoro-5-[(4-propylsulfonyl-1-piperazinyl)methyl]phenyl]methyl]-1-(6-methyl-3-pyridinyl)urea IUPAC Name: 1-[[2-fluoro-5-[(4-propylsulfonylpiperazin-1-yl)methyl]phenyl]methyl]-1-(6-methylpyridin-3-yl)urea Traditional Name: 1-[2-fluoro-5-[(4-propylsulfonylpiperazino)methyl]benzyl]-1-(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=CC(=C(C=C2)F)CN(C3=CN=C(C=C3)C)C(=O)N

Isomeric SMILES

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

InChI

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