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

Systemtic Name: 1-[5-[(4-ethylsulfonylpiperazin-1-yl)methyl]-2-fluoranyl-phenyl]-3-(6-methylpyridin-3-yl)urea Openeye Name: 1-[5-[(4-ethylsulfonylpiperazin-1-yl)methyl]-2-fluoro-phenyl]-3-(6-methyl-3-pyridyl)urea CAS Name: 1-[5-[(4-ethylsulfonyl-1-piperazinyl)methyl]-2-fluorophenyl]-3-(6-methyl-3-pyridinyl)urea IUPAC Name: 1-[5-[(4-ethylsulfonylpiperazin-1-yl)methyl]-2-fluorophenyl]-3-(6-methylpyridin-3-yl)urea Traditional Name: 1-[5-[(4-esylpiperazino)methyl]-2-fluoro-phenyl]-3-(6-methyl-3-pyridyl)urea Formula: C20H26FN5O3S MolecularWeight: 435.515543

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCN(CC1)CC2=CC(=C(C=C2)F)NC(=O)NC3=CN=C(C=C3)C

Isomeric SMILES

CCS(=O)(=O)N1CCN(CC1)CC2=CC(=C(C=C2)F)NC(=O)NC3=CN=C(C=C3)C

InChI

InChI=1S/C20H26FN5O3S/c1-3-30(28,29)26-10-8-25(9-11-26)14-16-5-7-18(21)19(12-16)24-20(27)23-17-6-4-15(2)22-13-17/h4-7,12-13H,3,8-11,14H2,1-2H3,(H2,23,24,27)