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

Systemtic Name: 1-[3-[(4-ethylsulfonylpiperazin-1-yl)methyl]-2-fluoranyl-phenyl]-3-(6-methylpyridin-3-yl)urea Openeye Name: 1-[3-[(4-ethylsulfonylpiperazin-1-yl)methyl]-2-fluoro-phenyl]-3-(6-methyl-3-pyridyl)urea CAS Name: 1-[3-[(4-ethylsulfonyl-1-piperazinyl)methyl]-2-fluorophenyl]-3-(6-methyl-3-pyridinyl)urea IUPAC Name: 1-[3-[(4-ethylsulfonylpiperazin-1-yl)methyl]-2-fluorophenyl]-3-(6-methylpyridin-3-yl)urea Traditional Name: 1-[3-[(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=C(C(=CC=C2)NC(=O)NC3=CN=C(C=C3)C)F

Isomeric SMILES

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

InChI

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