1-(2-ethylsulfonylphenyl)-3-[2-(6-fluoranyl-4H-1,3-benzodioxin-8-yl)ethyl]urea

Systemtic Name: 1-(2-ethylsulfonylphenyl)-3-[2-(6-fluoranyl-4H-1,3-benzodioxin-8-yl)ethyl]urea Openeye Name: 1-(2-ethylsulfonylphenyl)-3-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]urea CAS Name: 1-(2-ethylsulfonylphenyl)-3-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]urea IUPAC Name: 1-(2-ethylsulfonylphenyl)-3-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]urea Traditional Name: 1-(2-esylphenyl)-3-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]urea Formula: C19H21FN2O5S MolecularWeight: 408.443843

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC=CC=C1NC(=O)NCCC2=C3C(=CC(=C2)F)COCO3

Isomeric SMILES

CCS(=O)(=O)C1=CC=CC=C1NC(=O)NCCC2=C3C(=CC(=C2)F)COCO3

InChI

InChI=1S/C19H21FN2O5S/c1-2-28(24,25)17-6-4-3-5-16(17)22-19(23)21-8-7-13-9-15(20)10-14-11-26-12-27-18(13)14/h3-6,9-10H,2,7-8,11-12H2,1H3,(H2,21,22,23)