1-[4-[bis(fluoranyl)methylsulfonyl]phenyl]sulfonyl-3-butyl-urea

Systemtic Name: 1-[4-[bis(fluoranyl)methylsulfonyl]phenyl]sulfonyl-3-butyl-urea Openeye Name: 1-butyl-3-[4-(difluoromethylsulfonyl)phenyl]sulfonyl-urea CAS Name: 1-butyl-3-[4-(difluoromethylsulfonyl)phenyl]sulfonylurea IUPAC Name: 1-butyl-3-[4-(difluoromethylsulfonyl)phenyl]sulfonylurea Traditional Name: 1-butyl-3-[4-(difluoromethylsulfonyl)phenyl]sulfonyl-urea Formula: C12H16F2N2O5S2 MolecularWeight: 370.392646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)C(F)F

Isomeric SMILES

CCCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)C(F)F

InChI

InChI=1S/C12H16F2N2O5S2/c1-2-3-8-15-12(17)16-23(20,21)10-6-4-9(5-7-10)22(18,19)11(13)14/h4-7,11H,2-3,8H2,1H3,(H2,15,16,17)