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

Systemtic Name: 1-[[5-[[4-(dimethylsulfamoyl)piperazin-1-yl]methyl]-2-fluoranyl-phenyl]methyl]-3-(6-methylpyridin-3-yl)urea Openeye Name: 1-[[5-[[4-(dimethylsulfamoyl)piperazin-1-yl]methyl]-2-fluoro-phenyl]methyl]-3-(6-methyl-3-pyridyl)urea CAS Name: 1-[[5-[[4-(dimethylsulfamoyl)-1-piperazinyl]methyl]-2-fluorophenyl]methyl]-3-(6-methyl-3-pyridinyl)urea IUPAC Name: 1-[[5-[[4-(dimethylsulfamoyl)piperazin-1-yl]methyl]-2-fluorophenyl]methyl]-3-(6-methylpyridin-3-yl)urea Traditional Name: 1-[5-[[4-(dimethylsulfamoyl)piperazino]methyl]-2-fluoro-benzyl]-3-(6-methyl-3-pyridyl)urea Formula: C21H29FN6O3S MolecularWeight: 464.556763

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1)NC(=O)NCC2=C(C=CC(=C2)CN3CCN(CC3)S(=O)(=O)N(C)C)F

Isomeric SMILES

CC1=NC=C(C=C1)NC(=O)NCC2=C(C=CC(=C2)CN3CCN(CC3)S(=O)(=O)N(C)C)F

InChI

InChI=1S/C21H29FN6O3S/c1-16-4-6-19(14-23-16)25-21(29)24-13-18-12-17(5-7-20(18)22)15-27-8-10-28(11-9-27)32(30,31)26(2)3/h4-7,12,14H,8-11,13,15H2,1-3H3,(H2,24,25,29)