1-[3-[(4-ethylsulfonyl-3,3-dimethyl-piperazin-1-yl)methyl]-2-fluoranyl-phenyl]-1-(6-methylpyridin-3-yl)urea

Systemtic Name: 1-[3-[(4-ethylsulfonyl-3,3-dimethyl-piperazin-1-yl)methyl]-2-fluoranyl-phenyl]-1-(6-methylpyridin-3-yl)urea Openeye Name: 1-[3-[(4-ethylsulfonyl-3,3-dimethyl-piperazin-1-yl)methyl]-2-fluoro-phenyl]-1-(6-methyl-3-pyridyl)urea CAS Name: 1-[3-[(4-ethylsulfonyl-3,3-dimethyl-1-piperazinyl)methyl]-2-fluorophenyl]-1-(6-methyl-3-pyridinyl)urea IUPAC Name: 1-[3-[(4-ethylsulfonyl-3,3-dimethylpiperazin-1-yl)methyl]-2-fluorophenyl]-1-(6-methylpyridin-3-yl)urea Traditional Name: 1-[3-[(4-esyl-3,3-dimethyl-piperazino)methyl]-2-fluoro-phenyl]-1-(6-methyl-3-pyridyl)urea Formula: C22H30FN5O3S MolecularWeight: 463.568703

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30FN5O3S/c1-5-32(30,31)27-12-11-26(15-22(27,3)4)14-17-7-6-8-19(20(17)23)28(21(24)29)18-10-9-16(2)25-13-18/h6-10,13H,5,11-12,14-15H2,1-4H3,(H2,24,29)