1-[5-(2-bromanylethanoyl)-2-chloranyl-phenyl]sulfonyl-3-butyl-urea

Systemtic Name: 1-[5-(2-bromanylethanoyl)-2-chloranyl-phenyl]sulfonyl-3-butyl-urea Openeye Name: 1-[5-(2-bromoacetyl)-2-chloro-phenyl]sulfonyl-3-butyl-urea CAS Name: 1-[5-(2-bromo-1-oxoethyl)-2-chlorophenyl]sulfonyl-3-butylurea IUPAC Name: 1-[5-(2-bromoacetyl)-2-chlorophenyl]sulfonyl-3-butylurea Traditional Name: 1-[5-(2-bromoacetyl)-2-chloro-phenyl]sulfonyl-3-butyl-urea Formula: C13H16BrClN2O4S MolecularWeight: 411.69914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NS(=O)(=O)C1=C(C=CC(=C1)C(=O)CBr)Cl

Isomeric SMILES

CCCCNC(=O)NS(=O)(=O)C1=C(C=CC(=C1)C(=O)CBr)Cl

InChI

InChI=1S/C13H16BrClN2O4S/c1-2-3-6-16-13(19)17-22(20,21)12-7-9(11(18)8-14)4-5-10(12)15/h4-5,7H,2-3,6,8H2,1H3,(H2,16,17,19)