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

Systemtic Name: 1-[3-[(4-ethylsulfonylpiperazin-1-yl)methyl]-5-fluoranyl-phenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea Openeye Name: 1-[3-[(4-ethylsulfonylpiperazin-1-yl)methyl]-5-fluoro-phenyl]-3-(5-methylisoxazol-3-yl)urea CAS Name: 1-[3-[(4-ethylsulfonyl-1-piperazinyl)methyl]-5-fluorophenyl]-3-(5-methyl-3-isoxazolyl)urea IUPAC Name: 1-[3-[(4-ethylsulfonylpiperazin-1-yl)methyl]-5-fluorophenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea Traditional Name: 1-[3-[(4-esylpiperazino)methyl]-5-fluoro-phenyl]-3-(5-methylisoxazol-3-yl)urea Formula: C18H24FN5O4S MolecularWeight: 425.477663

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24FN5O4S/c1-3-29(26,27)24-6-4-23(5-7-24)12-14-9-15(19)11-16(10-14)20-18(25)21-17-8-13(2)28-22-17/h8-11H,3-7,12H2,1-2H3,(H2,20,21,22,25)