1-[3-[[(2R)-4-ethylsulfonyl-2-methyl-piperazin-1-yl]methyl]-2-fluoranyl-phenyl]-1-(2-methylpyridin-4-yl)urea

Systemtic Name: 1-[3-[[(2R)-4-ethylsulfonyl-2-methyl-piperazin-1-yl]methyl]-2-fluoranyl-phenyl]-1-(2-methylpyridin-4-yl)urea Openeye Name: 1-[3-[[(2R)-4-ethylsulfonyl-2-methyl-piperazin-1-yl]methyl]-2-fluoro-phenyl]-1-(2-methyl-4-pyridyl)urea CAS Name: 1-[3-[[(2R)-4-ethylsulfonyl-2-methyl-1-piperazinyl]methyl]-2-fluorophenyl]-1-(2-methyl-4-pyridinyl)urea IUPAC Name: 1-[3-[[(2R)-4-ethylsulfonyl-2-methylpiperazin-1-yl]methyl]-2-fluorophenyl]-1-(2-methylpyridin-4-yl)urea Traditional Name: 1-[3-[[(2R)-4-esyl-2-methyl-piperazino]methyl]-2-fluoro-phenyl]-1-(2-methyl-4-pyridyl)urea Formula: C21H28FN5O3S MolecularWeight: 449.542123

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCN(C(C1)C)CC2=C(C(=CC=C2)N(C3=CC(=NC=C3)C)C(=O)N)F

Isomeric SMILES

CCS(=O)(=O)N1CCN([C@@H](C1)C)CC2=C(C(=CC=C2)N(C3=CC(=NC=C3)C)C(=O)N)F

InChI

InChI=1S/C21H28FN5O3S/c1-4-31(29,30)26-11-10-25(16(3)13-26)14-17-6-5-7-19(20(17)22)27(21(23)28)18-8-9-24-15(2)12-18/h5-9,12,16H,4,10-11,13-14H2,1-3H3,(H2,23,28)/t16-/m1/s1